Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, [1S-(1α,2β,5α)]-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7?,8?,9-/m1/s1
- IUPAC Standard InChIKey: WONIGEXYPVIKFS-AMDVSUOASA-N
- CAS Registry Number: 18881-04-4
- 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:
- Other names: (S)-cis-Verbenol; (-)-(Z)-Verbenol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2S,5S)-; (1S-(1α,2β,5α))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; S-(-)-cis-Verbenol; (-)-Verbenol; (-)-cis-Verbenol; cis-Verbenol
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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 | Capillary |
|---|---|---|---|
| Active phase | HP-Innowax | HP Innowax | Innowax FSC |
| Column length (m) | 60. | 60. | 60. |
| Carrier gas | Helium | Helium | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 |
| Program | not specified | not specified | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
| I | 1663. | 1663. | 1663. |
| Reference | Feng, Cui, et al., 2011 | Noorizadeh and Farmany, 2010 | Baser, Demirci, et al., 2009 |
| Comment | MSDC-RI | 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.
Feng, Cui, et al., 2011
Feng, T.; Cui, J.-J.; Xiao, Z.-B.; Tian, H.-X.; Yi, F.-P.; Ma, X.,
Chemical composition od essential oil from the peel of Chinese Torreya grandis Frt,
Org. Chem. International, 2011, 2011, 1-5, https://doi.org/10.1155/2011/187372
. [all data]
Noorizadeh and Farmany, 2010
Noorizadeh, H.; Farmany, A.,
Exploration of linear and nonlinear modeling techniques to predict of retention index of essential oils,
J. Chin. Chem. Soc., 2010, 1268-1277. [all data]
Baser, Demirci, et al., 2009
Baser, K.H.C.; Demirci, B.; Kurkcuoglu, M.; Satin, F.; Tumen, G.,
Comparative morphological and phytochemical charactertization of Salvia cadmica and S. smyrnaea,
Pak. J. Bot., 2009, 41, 4, 1545-1555. [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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