Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (-)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3
- IUPAC Standard InChIKey: WLNGPDPILFYWKF-UHFFFAOYSA-N
- CAS Registry Number: 18431-82-8
- 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. - Other names: β-Chamigrene; Chamigren; Chamigrene; Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (R)-; (R)-3,7,7-Trimethyl-11-methylenespiro[5.5]undec-2-ene; 3,7,7-Trimethyl-11-methylenespiro[5.5]undec-2-ene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 | H.U.DAENIKER GIVAUDAN CPN., 125 DELAWANA AVE., N.J., USA |
| NIST MS number | 26183 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1478. | Asuming, Beauchamp, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 1499. | Buchin, Salmon, et al., 2002 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min |
| Capillary | HP-5 | 1472. | Tzakou and Couladis, 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | OV-101 | 1495. | Padrayuttawat, Tamura, et al., 1996 | 50. m/0.25 mm/0.2 μm, N2, 2. K/min, 200. C @ 60. min; Tstart: 80. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1468. | Tuberoso, Kowalczyk, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min) |
| Capillary | OV-1 | 1468. | El-Shazly, Dorai, et al., 2002 | 15. m/0.317 mm/0.25 μm, He; Program: 50C(4min) => (4C/min) => 90C => (10C/min)=300C(10min) |
| Capillary | DB-5 | 1451. | Roscigno, 1998 | 30. m/0.25 mm/0.25 μm; Program: 50C(5min) => 2C/min => 250C (60min) => 2C/min => 270C => 1C/min => 290C |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1737. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1735. | Tzakou and Couladis, 2001 | 30. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 75. C; Tend: 230. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1474. | Melo, Corrêa, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 15. min; Tstart: 80. C |
| Capillary | HP-5 | 1503. | Liu J.M., Nan P., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min |
| Capillary | HP-5MS | 1472. | Silva-Brandão, Solferini, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | HP-5 | 1475. | Flamini, Luigi Cioni, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | HP-5MS | 1475. | 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 | DB-5 | 1476. | Flamini, Cioni, et al., 2004 | 30. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1476. | Flamini, Cioni, et al., 2004 | 30. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1495. | Isidorov, Krajewska, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 250. C |
| Capillary | DB-5 | 1475. | Bader, Caponi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C |
| Capillary | HP-1 | 1465. | Nath, Sarma, et al., 2002 | 24. m/0.32 mm/0.17 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | DB-5 | 1474. | Maia, de Paula, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | DB-5 | 1475. | Maia, de Paula, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; Tend: 240. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1486. | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | BPX-5 | 1489. | Dharmawan, Kasapis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 4C/min => 200C => 30C/min => 300C (3min) |
| Capillary | BPX-5 | 1488. | 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 | DB-1 | 1458. | Suliman F.E.O., Fatope M.O., et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 2C/min => 200C => 5C/min => 240C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Wax | 1740. | Bader, Caponi, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | CP-Wax 52CB | 1686. | Chagonda, Makanda, et al., 2000 | 25. m/0.25 mm/0.15 μm, 40. C @ 5. min, 3. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1475. | Rodriques, Amorim, et al., 2013 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 MS | 1488. | Cui, Yang, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-5 MS | 1475. | Silva, Pott, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-1 | 1487. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
| Capillary | CP-Sil 5 CB | 1500. | Hnawia, Menut, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | DB-5 | 1478. | Ho, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 250. C |
| Capillary | DB-5 MS | 1484. | Noudogbessi, Yedomonhan, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 300. C @ 5. min |
| Capillary | CP Sil 5 CB | 1474. | Ayoub, Al-Azizi, et al., 2006 | He, 10. K/min; Column length: 25. m; Tstart: 80. C; Tend: 270. C |
| Capillary | DB-1 | 1450. | Iranshahi, Amin, 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 | 1479. | Morteza-Semnani, Akbarzadeh, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-5 | 1474. | Nickavar B., Kamalinejad M., et al., 2006 | 30. m/0.25 mm/0.25 μm, 50. C @ 0.5 min, 2.5 K/min; Tend: 265. C |
| Capillary | HP-5 | 1475. | Pino, Sauri-Duch, et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 4. K/min, 280. C @ 10. min |
| Capillary | DB-5 | 1473. | Askari and Sefidkon, 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 210. C |
| Capillary | DB-1 | 1470. | Palá-Paúl, Pérez-Alonso, et al., 2005 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
| Capillary | CP Sil 5 CB | 1478. | Rohloff and Bones, 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | CP Sil 5 CB | 1478. | Rohloff and Bones, 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | HP-5 | 1466. | Utsunomia, Kawata, et al., 2005 | 30. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; Tstart: 40. C |
| Capillary | HP-5 | 1477. | Utsunomia, Kawata, et al., 2005 | 30. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; Tstart: 40. C |
| Capillary | HP-5MS | 1482. | Li and Jiang, 2004 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 230. C @ 10. min |
| Capillary | DB-5MS | 1477. | paz Lima, Silva, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1474. | Mookdasanit, Tamura, et al., 2003 | Helium, 2. K/min, 210. C @ 60. min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 70. C |
| Capillary | DB-5 | 1477. | da Silva, Luz, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1475. | Bos, Koulman, et al., 2002 | 30. m/0.249 mm/0.25 μm, He, 3. K/min, 300. C @ 5. min; Tstart: 60. C |
| Capillary | DB-5 | 1486. | Krauze-Baranowska, Mardarowicz, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 4. K/min, 280. C @ 15. min |
| Capillary | DB-5 | 1475. | Zoghbi, Andrade, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | SPB-5 | 1478. | 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 | OV-101 | 1495. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | DB-1 | 1475. | Koulman, 1999 | 25. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 290. C |
| Capillary | DB-5MS | 1481. | Zoghbi, Andrade, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | OV-101 | 1495. | Sugisawa, Yang, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1495. | Sugisawa, Yang, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1476. | Rodriques, Amorim, et al., 2013 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-1 | 1474. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 | 1474. | Riahi, Pourbasheer, et al., 2009 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | DB-5 | 1478. | 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 | CP Sil 8 CB | 1478. | Judzentiene and Buzelyte, 2006 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | DB-5 | 1475. | Barros-Filho, Nunes, et al., 2004 | 30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 20C/min => 280C |
| Capillary | HP-5MS | 1490. | Demyttenaere, Moriña, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) |
| Capillary | HP-5MS | 1490. | Demyttenaere, Moriña, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) |
| Capillary | OV-1 | 1467. | Hafez and Abdel-Salam, 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C |
| Capillary | Methyl Silicone | 1473. | Demyttenaere, Morina, et al., 2003 | He; Program: 60 0C 3 0C/min -> 200 0C 15 0C/min -> 250 0C (5 min) |
| Capillary | HP-5MS | 1473. | Demyttenaere, Moriña, et al., 2002 | 25. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 8C/min => 160C => 15C/min => 250C(3min) |
| Capillary | DB-5 | 1475. | Andrade, Maia, et al., 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 40C => 2C/min => 60C => 4C/min => 260C |
| Capillary | CP Sil 5 CB | 1501. | Phan, Van, et al., 1998 | N2; Column length: 25. m; Program: not specified |
| Capillary | DB-5 | 1481. | Jelen H.H., Mirocha C.J., et al., 1995 | 30. m/0.25 mm/0.25 μm; Program: 35C(1min) => 5C/min => 230C => 20C/min => 280C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | TC-FFAP | 1723. | Kurose, Okamura, et al., 2007 | He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 μm; Tstart: 60. C |
| Capillary | CP-Wax 52CB | 1701. | Rohloff and Bones, 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | CP-Wax 52CB | 1701. | Rohloff and Bones, 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | RTX-Wax | 1755. | Galindo-Cuspinera, Lubran, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min |
| Capillary | DB-Wax | 1702. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax FSP | 1726. | Wedge, Klun, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) |
| Capillary | Carbowax 20M | 1737. | Vinogradov, 2004 | Program: not specified |
| Capillary | Innowax | 1724. | Tunaher, Kirimer, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Asuming, Beauchamp, et al., 2005
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Tzakou, O.; Couladis, M.,
The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece,
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Padrayuttawat, Tamura, et al., 1996
Padrayuttawat, A.; Tamura, H.; Yamao, M.,
A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi,
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Notes
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