3-Cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl-

Formula: C₁₀H₁₆O
Molecular weight: 152.2334
IUPAC Standard InChI: InChI=1S/C10H16O/c1-8-4-5-10(3,7-11)6-9(8)2/h7H,4-6H2,1-3H3
IUPAC Standard InChIKey: HPPUQZZCHCEJEW-UHFFFAOYSA-N
CAS Registry Number: 40702-26-9
Chemical structure:
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Other names: 1,3,4-Trimethyl-3-cyclohexenyl-1-carboxaldehyde; 1,3,4-Trimethyl-3-cyclohexen-1-carboxaldehyde; 1,3,4-Trimethyl-3-cyclohexene-1-carboxaldehyde
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Other data available:
- Mass spectrum (electron ionization)
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IR Spectrum

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

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Owner	NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	NIST Mass Spectrometry Data Center
State	gas
Instrument	HP-GC/MS/IRD

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

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1171.	Tepe, Sokmen, et al., 2005	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 240. C

Column type	Active phase	I	Reference	Comment
Capillary	BPX-5	1136.	Baris, Güllüce, et al., 2006	30. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C(10min) => 10C/min => 250C

Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	1525.	Velasco-Negueruela, Pérez-Alonso, et al., 2003	50. m/0.2 mm/0.2 μm, He, 5. K/min; T_start: 70. C; T_end: 190. C

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Tepe, Sokmen, et al., 2005
Tepe, B.; Sokmen, M.; Sokmen, A.; Daferera, D.; Polissiou, M., Antimicrobial and antioxidative activity of the essential oil and various extracts of Cyclotrichium origanifolium (Labill.) Manden. Scheng., J. Food Eng., 2005, 69, 3, 335-342, https://doi.org/10.1016/j.jfoodeng.2004.08.024 . [all data]

Baris, Güllüce, et al., 2006
Baris, Ö.; Güllüce, M.; Sahin, F.; Özer, H.; Kilic, H.; Özkan, H.; Sökmen, M.; Özbek, T., Biological Activities of the Essential Oil and Methanol Extract of Achillea biebersteinii Afan. (Asteraceae), Turk. J. Biol., 2006, 30, 65-73. [all data]

Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J., Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Rutheopsis herbanica (Bolle) Hans. Kunk., gathered in Fuerteventura (Canary Islands), J. Chromatogr. A, 2003, 984, 1, 159-162, https://doi.org/10.1016/S0021-9673(02)01742-9 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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