1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1α,3aα,7α,8aβ)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3
- IUPAC Standard InChIKey: KVQOADNSNSUAJT-UHFFFAOYSA-N
- CAS Registry Number: 560-32-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1H-3a,7-Methanoazulene, 2,3,6,7,8,8aα-hexahydro-1β,4,9,9-tetramethyl-; (1R,3aS,7S,8aR)-1,4,9,9-Tetramethyl-2,3,6,7,8,8a-hexahydro-1H-3a,7-methanoazulene; α-Patchoulene; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1R,3aS,7S,8aR)-rel-; 1α,3aα,7α,8aβ-1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl
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Normal alkane RI, polar column, custom temperature program
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | PEG-20M Innowax | Innowax FSC |
| Column length (m) | 30. | 60. |
| Carrier gas | Nitrogen | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 50 0C (7 min) 20 0C/min -> 130 0C (1 min) 1 0C/min -> 150 0C 8 0C/min -> 190 0C (5 min) | 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0C |
| I | 1640. | 1658. |
| Reference | Wang, Tian, et al., 2013 | Bardakci, Demirci, et al., 2012 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wang, Tian, et al., 2013
Wang, G.-J.; Tian, L.; Fan, Y.-M.; Qi, M.-L.,
Headspace single drop microextraction gas chromatography mass spectrometry for the analysis of volatile compounds from herba Asari,
J. Anal. Methods in Chemistry, 2013, 1-6. [all data]
Bardakci, Demirci, et al., 2012
Bardakci, H.; Demirci, B.; Yesilada, E.; Kirmizibekmez, H.; Naser, K.H.C.,
Chemical composition of the essential oil of the subterranean parts of Valeriana alliariifolia,
Rec. Nat. Prod., 2012, 6, 1, 89-92. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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