1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R,S)]-

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3
IUPAC Standard InChIKey: KKOXKGNSUHTUBV-UHFFFAOYSA-N
CAS Registry Number: 495-60-3
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Stereoisomers:
- δ-Curcumene
- α-Sesquiphellandrene
Other names: (-)-Zingiberene; l-Zingiberene; Zingiberene; α-Zingiberene; 5-(1,5-Dimethyl-4-hexenyl)-2-methyl-1,3-cyclohexadiene; α-zingibirene; [S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene
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Mass spectrum (electron ionization)

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	N.W. DAVIES, UNIVERSITY OF TASMANIA, TASMANIA, AUSTRALIA
NIST MS number	70231

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Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1493.	Allegrone, Belliardo, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; T_end: 280. C
Capillary	BP-1	1491.	Raina, Verma, et al., 2006	25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; T_start: 60. C
Capillary	BP-1	1484.	Srivastava, Srivastava, et al., 2006	30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 3. min; T_start: 60. C
Capillary	CP Sil 5 CB	1486.	Ogunwande, Olawore, et al., 2003	25. m/0.25 mm/0.15 μm, H2, 3. K/min; T_start: 50. C; T_end: 230. C
Capillary	SPB-1	1463.	Jayaprakasha, Jena, et al., 2002	30. m/0.32 mm/0.25 μm, He, 60. C @ 3. min, 2. K/min, 225. C @ 5. min
Capillary	BP-1	1487.	Raina, Srivastava, et al., 2002	25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; T_start: 60. C
Capillary	DB-1	1473.	Palá-Paúl, Velasco-Negueruela, et al., 2001	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 80. C; T_end: 225. C
Capillary	BP-5	1496.	Weissbecker B., Van Loon J.J.A., et al., 2000	25. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 200. C
Capillary	HP-5MS	1487.	Siani, Ramos, et al., 1999	30. m/0.32 mm/0.25 μm, He, 70. C @ 5. min, 3. K/min; T_end: 250. C
Capillary	DB-5	1500.	da Silva, Andrade, et al., 1999	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Packed	OV-1	1454.	Carter, Gianfagna, et al., 1989	15. K/min; Column length: 1.83 m; T_start: 90. C; T_end: 200. C
Capillary	Methyl Silicone	1471.8	Rao, Rajanikanth, et al., 1989	4. K/min, 250. C @ 15. min; Column length: 12. m; Column diameter: 0.5 mm; T_start: 70. C

Kovats' RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	BP-1	1490.	Khan, Srivastava, et al., 2003	25. m/0.25 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min)
Capillary	BP-1	1490.	Khan, Srivastava, et al., 2002	30. m/0.32 mm/0.25 μm, N2; Program: 60 C 5 C/min -> 220 C (5 min) 3 C/min -> 245 C (5 min)

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	165.	1738.	Andersen and Falcone, 1969

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1493.	Benkaci-Ali, Baaliouamer, et al., 2007	30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min
Capillary	DB-5	1495.	Maccioni, Baldini, et al., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1495.	Maccioni, Baldini, et al., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1495.	Rout, Rao, et al., 2007	25. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 60. min; T_start: 60. C
Capillary	DB-5	1500.	Sabulal, Dan, et al., 2007	30. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 60. C; T_end: 260. C
Capillary	DB-1	1492.	Sonboli, Azizian, et al., 2007	60. m/0.25 mm/0.25 μm, N2, 5. K/min, 250. C @ 10. min; T_start: 60. C
Capillary	HP-5MS	1495.	Pino, Mesa, et al., 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
Capillary	HP-5MS	1495.	Grujic-Jovanovic, Skaltsa, et al., 2004	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C
Capillary	HP-5	1495.	Sartoratto, Machado, et al., 2004	25. m/0.2 mm/0.33 μm, He, 3. K/min, 240. C @ 7. min; T_start: 60. C
Capillary	HP-5MS	1476.	Tzakou, Vagias, et al., 2004	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	DB-5	1494.	bin Jantan, Yassin, et al., 2003	30. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min; T_end: 230. C
Capillary	MS5	1492.	Shao, Marriott, et al., 2003	25. m/0.25 mm/0.25 μm, 3. K/min; T_start: 40. C; T_end: 180. C
Capillary	BPX-5	1499.	Shellie, Marriott, et al., 2003	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; T_end: 240. C
Capillary	HP-5	1495.	Skaltsa, Demetzos, et al., 2003	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C
Capillary	HP-5	1494.	Fokialakis, Magiatis, et al., 2002	30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min; T_end: 280. C
Capillary	HP-5	1493.	Aligiannis, Kalpoutzakis, et al., 2001	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; T_end: 280. C
Capillary	DB-5	1496.	Bortolomeazzi, Berno, et al., 2001	30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 5. K/min; T_end: 300. C
Capillary	DB-5	1490.	Bartley and Jacobs, 2000	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 290. C @ 5. min
Capillary	DB-5	1496.	Bortolomeazzi, Pizzale, et al., 2000	30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 5. K/min; T_end: 300. C
Capillary	CP Sil 8 CB	1497.	Chevance and Farmer, 1999	60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	Ultra-1	1489.	Richmond and Pombo-Villar, 1998	25. m/0.32 mm/0.52 μm, He, 15. K/min, 320. C @ 10. min; T_start: 35. C
Capillary	Ultra-1	1489.28	Richmond and Pombo-Villar, 1997	25. m/0.32 mm/0.52 μm, 15. K/min, 320. C @ 10. min; T_start: 35. C
Capillary	DB-1	1490.	Bartley and Foley, 1994	60. m/0.32 mm/0.5 μm, 40. C @ 2. min, 4. K/min, 290. C @ 5. min

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	BPX-5	1505.	Cardeal, da Silva, et al., 2006	30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
Capillary	5 % Phenyl methyl siloxane	1494.	Sacchetti, Maietti, et al., 2005	30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	1713.	Grujic-Jovanovic, Skaltsa, et al., 2004	30. m/0.25 mm/0.5 μm, He, 3. K/min; T_start: 60. C; T_end: 260. C
Capillary	CP-Wax 52CB	1745.	Kjeldsen, Christensen, et al., 2003	50. m/0.25 mm/0.2 μm, He, 32. C @ 1. min, 1. K/min; T_end: 220. C
Capillary	CP-Wax 52CB	1745.	Kjeldsen, Christensen, et al., 2001	50. m/0.25 mm/0.2 μm, 32. C @ 1. min, 1. K/min; T_end: 220. C
Capillary	DB-Wax	1728.	Bartley and Jacobs, 2000	60. m/0.5 mm/0.32 μm, He, 40. C @ 2. min, 4. K/min, 290. C @ 5. min
Capillary	CP-Wax 52CB	1702.	Chevance and Farmer, 1999	60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	CP-Wax 52CB	1713.	Chevance and Farmer, 1999, 2	60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	CP-Wax 52CB	1710.	Chevance and Farmer, 1999, 2	40. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	DB-Wax	1722.	Cha, Kim, et al., 1998	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
Capillary	DB-Wax	1715.	Möllenbeck, König, et al., 1997	25. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	CP-Wax 52CB	1743.	Chyau, Mau, et al., 1996	50. m/0.23 mm/0.12 μm, H2, 50. C @ 10. min, 1.5 K/min, 200. C @ 10. min
Capillary	CP-Wax 52CB	1683.	Wu and Yang, 1994	H2, 50. C @ 10. min, 1.5 K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	Carbowax 20M	1701.	Chen and Ho, 1988	He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	Carbowax 20M	1696.	Chen and Ho, 1988	He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	Carbowax 20M	1696.	Chen and Ho, 1988	He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1721.	Bortolomeazzi, Berno, et al., 2001	30. m/0.25 mm/0.25 μm, He; Program: 60C(3min) => 4C/min => 160C => 10C/min => 280C
Capillary	Carbowax 20M	1721.	Bortolomeazzi, Pizzale, et al., 2000	30. m/0.25 mm/0.25 μm, He; Program: 60C(3min) => 4C/min => 160C => 10C/min => 280C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane with 5 % Ph	1490.	Priya, Prathapan, et al., 2012	Helium, 5. K/min, 200. C @ 25. min; Column length: 30. m; T_start: 80. C
Capillary	HP-5	1495.	Kahriman, Tosun, et al., 2011	30. m/0.32 mm/0.25 μm, Helium, 60. C @ 2. min, 3. K/min; T_end: 240. C
Capillary	HP-5 MS	1497.	Miyazawa, Marumoto, et al., 2011	30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; T_start: 40. C
Capillary	HP-5	1503.	Cavar, Maksimovic, et al., 2010	30. m/0.252 mm/0.25 μm, Helium, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	RTX-1	1489.	Dib, Djabou, et al., 2010	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	HP-5 MS	1500.	Lazarevic, Radulovic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min; T_start: 70. C; T_end: 290. C
Capillary	DB-1	1489.	Mirjalili, Salehi, et al., 2010	25. m/0.25 mm/0.25 μm, Nitrogen, 60. C @ 1. min, 4. K/min, 250. C @ 10. min
Capillary	HP-5	1499.	Miyazawa, Kawauchi, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; T_start: 40. C
Capillary	HP-5 MS	1497.	Radulovic, Blagojevic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T_start: 70. C
Capillary	HP-5	1502.	Radulovic, Dordevic, et al., 2010	30. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; T_start: 70. C; T_end: 290. C
Capillary	OV-101	1494.	Benites, Moiteiro, et al., 2009	50. m/0.25 mm/0.25 μm, Helium, 2. K/min; T_start: 70. C; T_end: 220. C
Capillary	OV-101	1500.	Benites, Moiteiro, et al., 2009	50. m/0.25 mm/0.25 μm, Helium, 2. K/min; T_start: 70. C; T_end: 220. C
Capillary	ZB-5	1447.	Gardini, Beletti, et al., 2009	30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 240. C @ 1. min; T_start: 50. C
Capillary	HP-5	1506.	Maridass, 2009	25. m/0.20 mm/0.33 μm, Helium, 3. K/min, 240. C @ 7. min; T_start: 60. C
Capillary	RTX-1	1489.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	RTX-1	1489.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	RTX-1	1488.	Paolini, Tomi, et al., 2008	60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; T_start: 60. C
Capillary	HP-5	1495.	Yassa and Akhani, 2008	30. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; T_end: 250. C
Capillary	HP-5MS	1508.	Argyropoulou, Daferera, et al., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	Col-Elite 5MS	1504.	Gudaityte and Venskutonis R.P., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 30. C; T_end: 246. C
Capillary	AT-5	1500.	Meccia, Rojas, et al., 2007	60. m/0.25 mm/0.25 μm, Helium, 4. K/min; T_start: 60. C; T_end: 260. C
Capillary	DB-5	1489.	Miyazawa and Tamura, 2007	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1490.	Pontes, de Olivera, et al., 2007	30. m/0.25 mm/0.25 μm, Hydrogen, 4. K/min; T_start: 50. C; T_end: 250. C
Capillary	SPB-5	1490.	Raal, Orav, et al., 2007	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	HP-5	1495.	Yassa and Akhani, 2007	30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; T_end: 250. C
Capillary	DB-5	1497.	Bazargani, Almasirad, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min
Capillary	DB-5	1500.	Garneau F.X., Collin G., et al., 2006	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min
Capillary	HP-5	1494.	Ibañez and Usubillaga, 2006	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 240. C
Capillary	HP-5MS	1492.	Ibanez and Usubillaga, 2006	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 260. C
Capillary	RTX-1	1488.	Kula, Izydorczyk, et al., 2006	30. m/0.32 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 300. C
Capillary	DB-5MS	1484.	Maronigiu, Piras, et al., 2006	30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; T_start: 60. C
Capillary	DB-1	1501.	Pala-Paul J., Perez-Alonso M.J., et al., 2006	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 95. C; T_end: 240. C
Capillary	DB-5	1497.	Rout, Naik, et al., 2006	30. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 60. min; T_start: 60. C
Capillary	DB-5	1513.	Shen X., Gao Y., et al., 2006	30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
Capillary	DB-1	1469.	Velasco-Negueruela, Pérez-Alonso, et al., 2006	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 90. C; T_end: 240. C
Capillary	BPX-5	1521.	Wohlmuth, Smith, et al., 2006	50. m/0.22 mm/1. μm, 4. K/min, 280. C @ 4. min; T_start: 70. C
Capillary	CP Sil 5 CB	1486.	Olawore, Ogunwande, et al., 2005	25. m/0.25 mm/0.15 μm, 3. K/min; T_start: 50. C; T_end: 230. C
Capillary	HP-5MS	1492.	Sajjadi, 2005	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	HP-5	1485.	Utsunomia, Kawata, et al., 2005	30. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; T_start: 40. C
Capillary	DB-1	1469.	Velasco-Negueruela, Pérez-Alonso, et al., 2005	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 90. C; T_end: 240. C
Capillary	SPB-1	1494.	Wong, Lee, et al., 2005	50. m/0.2 mm/0.33 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min
Capillary	DB-5	1489.	Limberger, Sobral, et al., 2004	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 300. C
Capillary	NB-30	1488.	Orav, Stulova, et al., 2004	50. m/0.2 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	NB-30	1488.	Orav, Stulova, et al., 2004	50. m/0.2 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	DB-5	1496.	Senatore, Rigano, et al., 2004	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min
Capillary	HP-5MS	1493.	Afsharypuor and Jahromy, 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 275. C
Capillary	DB-1	1483.	Dabiri and Sefidkon, 2003	He, 4. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 250. C
Capillary	DB-5MS	1496.	Maia, Taveira, et al., 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	HP-5	1494.	Stashenko, Jaramillo, et al., 2003	60. m/0.25 mm/0.25 μm, 40. C @ 15. min, 5. K/min; T_end: 250. C
Capillary	Cross-Linked Methylsilicone	1469.	Velasco-Negueruela, Pérez-Alonso, et al., 2003	25. m/0.2 mm/0.33 μm, He, 4. K/min; T_start: 70. C; T_end: 250. C
Capillary	RSL-200	1494.	Jirovetz, Buchbauer, et al., 2002	30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
Capillary	DB-5MS	1497.	Maia, Zoghbi, et al., 2002	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	CP Sil 5 CB	1477.	Mojab, Rustaiyan, et al., 2002	25. m/0.25 mm/0.39 μm, He, 5. K/min; T_start: 60. C; T_end: 220. C
Capillary	DB-1	1473.	Palá-Paúl, Pérez-Alonso, et al., 2002	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 80. C; T_end: 225. C
Capillary	DB-1	1469.	Velasco-Negueruela, Pérez-Alonso, et al., 2002	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 95. C; T_end: 240. C
Capillary	SPB-5	1495.	Cornu, Carnat, et al., 2001	He, 40. C @ 5. min, 3. K/min, 220. C @ 15. min; Column length: 60. m; Column diameter: 0.32 mm
Capillary	CBP-1	1489.	Ly, Yamauchi, et al., 2001	25. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 2. min, 3. K/min; T_end: 210. C
Capillary	SPB-5	1499.	Doneanu and Anitescu, 1998	50. m/0.32 mm/0.25 μm, He, 3. K/min, 240. C @ 20. min; T_start: 60. C
Capillary	OV-101	1494.	Zollo, Biyiti, et al., 1998	5. K/min; Column length: 25. m; Column diameter: 0.32 mm; T_start: 50. C; T_end: 200. C
Capillary	CP Sil 8 CB	1493.	Jantan and Goh, 1990	60. C @ 10. min, 3. K/min; Column length: 25. m; Column diameter: 0.20 mm; T_end: 230. C
Capillary	SE-30	1486.	Ramaswami, Briscese, et al., 1988	50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m
Capillary	SE-30	1486.	Ramaswami, Briscese, et al., 1986	50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	VF-5	1515.	Shivashankar, Roy, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)
Capillary	VF-5	1500.	Shivashankar, Roy, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	HP-5	1489.	Citron, Riclea, et al., 2011	Program: not specified
Capillary	HP-5	1496.	Citron, Riclea, et al., 2011	Program: not specified
Capillary	HP-5	1494.	Kahriman, Tosun, et al., 2011	30. m/0.32 mm/0.25 μm, Helium; Program: not specified
Capillary	HP-5 MS	1495.	Payo, Colo, et al., 2011	Program: not specified
Capillary	HP-5 MS	1496.	Payo, Colo, et al., 2011	Program: not specified
Capillary	RTX-1	1483.	Dib, Djabou, et al., 2010	60. m/0.22 mm/0.25 μm, Helium; Program: not specified
Capillary	HP-5 MS	1492.	Liu, Chu, et al., 2010	30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min)
Capillary	HP-5	1492.	Custer, 2009	25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
Capillary	HP-5	1494.	Custer, 2009	25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
Capillary	HP-5	1493.	Custer, 2009	25. m/0.32 mm/0.17 μm, Helium; Program: not specified
Capillary	HP-5	1493.	Custer, 2009	25. m/0.32 mm/0.17 μm, Helium; Program: not specified
Capillary	DB-1	1492.	Mendes, Trindade, et al., 2009	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
Capillary	DB-1	1492.	Mendes, Trindade, et al., 2009, 2	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
Capillary	DB-5	1507.	Yang, Yang, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 95 min) 3 0C/min -> 100 0C 4 0C/min -> 160 0C 5 0C/min -> 220 0C (15 min)
Capillary	DB-1	1494.	Albuquerque, Vasconcelos Silva, et al., 2007	30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 10C/min => 250C
Capillary	HP-5MS	1486.	Chokeprasert P., Charles A.L., et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 230C(2min)
Capillary	HP-5MS	1509.	Cole, Haber, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C
Capillary	HP-5MS	1494.	Liu, Song, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 8C/min => 160C => 15C/min => 300C (10min)
Capillary	CP Sil 8 CB	1494.	Mockute, Bernotiene, et al., 2007	50. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 5 0C/min -> 250 0C (10 min)
Capillary	DB-5	1495.	Pontes, de Olivera, et al., 2007	30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified
Capillary	HP-5 MS	1498.	Stokes, Cole, et al., 2007	Program: not specified
Capillary	HP-5MS	1498.	Yu, Huang, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 6C/min => 160C => 10C/min => 300C (10min)
Capillary	HP-5MS	1488.	Li, Deng, et al., 2006	30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 8C/min => 160C => 12C/min => 300C(5min)
Capillary	HP-5 MS	1498.	Schmidt, Noletto, et al., 2006	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
Capillary	HP-5MS	1495.	Singh G., Maurya S., et al., 2006	30. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 1.5C => 185C => 9C/min => 275C (2min)
Capillary	SE-52	1494.	Tognolini, Barocelli, et al., 2006	30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
Capillary	DB-1	1473.	Al-Burtamani, Fatope, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 35C => 2C/min => 200C => 5C/min => 240C
Capillary	DB-1	1492.	Belhattab, Larous, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C(10min)
Capillary	CP Sil 8 CB	1495.	Nivinskienë, Butkienë, et al., 2005	50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min)
Capillary	HP-5	1495.	Singh, Maurya, et al., 2005	Column length: 30. m; Column diameter: 0.32 mm; Program: 65C(1min) => 1C/min => 75C (2min) => 0.5C/min => 81C(2min) => 3C/min => 180C(7min)
Capillary	SE-30	1487.	Vinogradov, 2004	Program: not specified
Capillary	SE-30	1520.	Vinogradov, 2004	Program: not specified
Capillary	SE-30	1501.	Li, Wu, et al., 2002	He; Column length: 60. m; Column diameter: 0.25 mm; Program: 50 0C (5 min) 5 0C/min -> 165 0C 4 0C/min -> 230 0C
Capillary	SE-30	1502.	Li, Wu, et al., 2002	He; Column length: 60. m; Column diameter: 0.25 mm; Program: not specified
Capillary	HP-5	1494.	Aparicio, Romero, et al., 2001	30. m/0.25 mm/0.25 μm; Program: not specified
Capillary	DB-1	1492.	Pedro, da Silva, et al., 1999	30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 170C => 15C/min => 300C(10min)
Capillary	CP Sil 5 CB	1487.	Weyerstahl, Marschall, et al., 1999	25. m/0.25 mm/0.39 μm, N2; Program: not specified
Capillary	DB-1	1492.	Figueiredo, Barroso, et al., 1997	30. m/0.25 mm/0.25 μm, H2; Program: 45C => 3C/min => 175C => 15C/min => 240C(10min)
Capillary	CP Sil 5 CB	1488.	Weyerstahl, Marschall, et al., 1997	He; Column length: 25. m; Program: not specified
Capillary	DB-1	1492.	Barroso, Figueiredo, et al., 1996	30. m/0.25 mm/0.25 μm, H2; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 240 0C (10 min)
Capillary	Methyl Silicone	1487.	Zenkevich, 1996	Program: not specified
Capillary	DB-5	1490.	Storer, Elmore, et al., 1993	30. m/0.32 mm/1. μm; Program: 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	RTX-Wax	1717.	Dib, Djabou, et al., 2010	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	DB-Wax	1736.	Miyazawa, Kawauchi, et al., 2010	15. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; T_start: 40. C
Capillary	Supelcowax-10	1724.	Benites, Moiteiro, et al., 2009	30. m/0.25 mm/0.25 μm, Helium, 2. K/min; T_start: 70. C; T_end: 220. C
Capillary	Supelcowax-10	1726.	Benites, Moiteiro, et al., 2009	30. m/0.25 mm/0.25 μm, Helium, 2. K/min; T_start: 70. C; T_end: 220. C
Capillary	DB-Wax	1715.	Karlsson, Birgersson, et al., 2009	30. m/0.25 mm/0.25 μm, Hydrogen, 30. C @ 5. min, 8. K/min, 230. C @ 10. min
Capillary	RTX-Wax	1698.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	RTX-Wax	1714.	Paolini, Tomi, et al., 2008	60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; T_start: 60. C
Capillary	TC-Wax	1718.	Miyazawa and Tamura, 2007	60. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 60. C; T_end: 240. C
Capillary	Supelcowax-10	1726.	Raal, Orav, et al., 2007	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	Supelcowax-10	1728.	Garneau F.X., Collin G., et al., 2006	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min
Capillary	CP-Wax	1708.	Ka, Choi, et al., 2005	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min; T_end: 180. C
Capillary	Supelcowax-10	1706.	Wong, Lee, et al., 2005	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min
Capillary	HP-20M	1687.	Mastelic and Jerkovic, 2003	50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min
Capillary	CP-Wax 52CB	1715.	Mau, Lai, et al., 2003	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	HP-Innowax	1726.	Stashenko, Jaramillo, et al., 2003	50. m/0.2 mm/0.2 μm, 50. C @ 5. min, 4. K/min; T_end: 220. C
Capillary	DB-Wax	1718.	Umano, Hagi, et al., 2000	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; T_end: 200. C
Capillary	DB-Wax	1724.	Ngassoum, Yonkeu, et al., 1999	60. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-Wax	1728.	van Beek, Kleis, et al., 1989	60. m/0.25 mm/0.25 μm, H2, 4. K/min, 238. C @ 13. min; T_start: 50. C
Capillary	Supelcowax-10	1728.	Ramaswami, Briscese, et al., 1988	50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m
Capillary	Supelcowax-10	1728.	Ramaswami, Briscese, et al., 1986	He, 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	1681.	Sun, Hua, et al., 2010	30. m/0.32 mm/0.50 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 210 0C (10 min) 3 0C/min -> 230 0C
Capillary	Supelcowax-10	1735.	Vichi, Guadayol, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min)
Capillary	HP-Innowax FSC	1726.	Kürkçüoglu, Hüsnü Can Baser, et al., 2006	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
Capillary	HP-Innowax FSC	1726.	Suleimenov Y.M., Atazhanova G.A., et al., 2006	60. m/0.25 mm/0.25 μm, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	HP-Innowax FSC	1725.	Tabanca, Demirci, et al., 2006	60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
Capillary	Supelcowax-10	1732.	Vichi, Guadayol, et al., 2006	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 75C => 8C/min => 260C(5min)
Capillary	HP-Innowax	1726.	Duman, Kartal, et al., 2005	60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	HP-Innowax FSC	1725.	Tabanca, Demirci, et al., 2005	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	Carbowax 20M	1733.	Vinogradov, 2004	Program: not specified
Capillary	Carbowax 20M	1738.	Vinogradov, 2004	Program: not specified
Capillary	Innowax FSC	1726.	Baser, Demirei, et al., 2002	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	Innowax FSC	1726.	Kirimer, Tabanca, et al., 2000	60. m/0.25 mm/0.25 μm, He; Program: 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C

References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, Notes

Allegrone, Belliardo, et al., 2006
Allegrone, G.; Belliardo, F.; Cabella, P., Comparison of volatile concentrations in hand-squeezed juices of four different lemon varieties, J. Agric. Food Chem., 2006, 54, 5, 1844-1848, https://doi.org/10.1021/jf051206s . [all data]

Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K., Essential oil composition of Murraya exotica from the plains of northern India, Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547 . [all data]

Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V., Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India, Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680 . [all data]

Ogunwande, Olawore, et al., 2003
Ogunwande, I.A.; Olawore, N.O.; Kasali, A.A.; König, W.A., Chemical composition of the leaf volatile oils of Callitris intratropica R.T. Baker H.G. Smith from Nigeria, Flavour Fragr. J., 2003, 18, 5, 387-389, https://doi.org/10.1002/ffj.1214 . [all data]

Jayaprakasha, Jena, et al., 2002
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Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K., Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India, Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053 . [all data]

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da Silva, Andrade, et al., 1999
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Khan, Srivastava, et al., 2002
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Andersen and Falcone, 1969
Andersen, N.H.; Falcone, M.S., The identification of sesquiterpene hydrocarbons from gas-liquid chromatography retention data, J. Chromatogr., 1969, 44, 52-59, https://doi.org/10.1016/S0021-9673(01)92497-5 . [all data]

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Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

Maccioni, Baldini, et al., 2007
Maccioni, S.; Baldini, R.; Luigi Cioni, P.; Tebano, M.; Flamini, G., In vivo volatiles emission and essential oils from different organs and pollen of Cistus albidus from Caprione (Eastern Liguria, Italy), Flavour Fragr. J., 2007, 22, 1, 61-65, https://doi.org/10.1002/ffj.1759 . [all data]

Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N., Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers, Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804 . [all data]

Sabulal, Dan, et al., 2007
Sabulal, B.; Dan, M.; John, A.; Kurup, R.; Chandrika, S.P.; George, V., Phenylbutanoid-rich rhizome oil of Zingiber neesanum from Western Ghats, southern India, Flavour Fragr. J., 2007, 22, 6, 521-524, https://doi.org/10.1002/ffj.1834 . [all data]

Sonboli, Azizian, et al., 2007
Sonboli, A.; Azizian, D.; Yousefzadi, M.; Kanani, M.R.; Mehrabian, A.R., Volatile constituents and antimicrobial activity of the essential oil of Tetrataenium lasiopetalum (Apiaceae) from Iran, Flavour Fragr. J., 2007, 22, 2, 119-122, https://doi.org/10.1002/ffj.1767 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M., Composition and antibacterial activity of the essential oil of six Stachys species from Serbia, Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275 . [all data]

Sartoratto, Machado, et al., 2004
Sartoratto, A.; Machado, A.L.M.; Delarmelina, C.; Figueira, G.M.; Duarte, M.C.T.; Rehder, V.L.G., Composition and antimicrobial activity of essential oils from aromatic plants used in Brazil, Braz. J. Microbiol., 2004, 35, 4, 275-280, https://doi.org/10.1590/S1517-83822004000300001 . [all data]

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bin Jantan, Yassin, et al., 2003
bin Jantan, I.; Yassin, M.S.M.; Chin, C.B.; Chen, L.L.; Sim. N.L., Antifungal activity of the essential oils of nine Zingiberaceae species, Pharm. Biol., 2003, 41, 5, 392-397, https://doi.org/10.1076/phbi.41.5.392.15941 . [all data]

Shao, Marriott, et al., 2003
Shao, Y.; Marriott, P.; Shellie, R.; Hügel, H., Solid-phase micro-extraction-comprehensive two-dimensional gas chromatography of ginger (Zingiber officinale) volatiles, Flavour Fragr. J., 2003, 18, 1, 5-12, https://doi.org/10.1002/ffj.1133 . [all data]

Shellie, Marriott, et al., 2003
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Notes

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NIST Chemistry WebBook, SRD 69

1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R,S)]-

Mass spectrum (electron ionization)

Spectrum

Help

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Additional Data

Gas Chromatography

Kovats' RI, non-polar column, temperature ramp

Kovats' RI, non-polar column, custom temperature program

Kovats' RI, polar column, isothermal

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Van Den Dool and Kratz RI, non-polar column, custom temperature program

Van Den Dool and Kratz RI, polar column, temperature ramp

Van Den Dool and Kratz RI, polar column, custom temperature program

Normal alkane RI, non-polar column, temperature ramp

Normal alkane RI, non-polar column, custom temperature program

Normal alkane RI, polar column, temperature ramp

Normal alkane RI, polar column, custom temperature program

References

Notes

1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]-

Mass spectrum (electron ionization)

Spectrum

Help

Credits

Additional Data

Gas Chromatography

Kovats' RI, non-polar column, temperature ramp

Kovats' RI, non-polar column, custom temperature program

Kovats' RI, polar column, isothermal

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Van Den Dool and Kratz RI, non-polar column, custom temperature program

Van Den Dool and Kratz RI, polar column, temperature ramp

Van Den Dool and Kratz RI, polar column, custom temperature program

Normal alkane RI, non-polar column, temperature ramp

Normal alkane RI, non-polar column, custom temperature program

Normal alkane RI, polar column, temperature ramp

Normal alkane RI, polar column, custom temperature program

References

Notes

1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R,S)]-