(3aR,3bS,6S,6aR,6bS)-6-Isopropyl-3b-methyloctahydrocyclobuta[1,2:3,4]di[5]annulen-1(2H)-one
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChI: InChI=1S/C14H22O/c1-8(2)9-6-7-14(3)10-4-5-11(15)12(10)13(9)14/h8-10,12-13H,4-7H2,1-3H3
- IUPAC Standard InChIKey: PYUWACLOPFTHBV-UHFFFAOYSA-N
- CAS Registry Number: 13844-03-6
- 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: Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3b-methyl-6-(1-methylethyl)-, (3aR,3bS,6S,6aR,6bS)-; Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, 3,3aα,3b,4,5,6,6aβ,6bα-octahydro-6β-isopropyl-3bβ-methyl-; Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3b-methyl-6-(1-methylethyl)-, [3aR-(3aα,3bβ,6β,6aβ,6bα)]-; (-)-Norbourbonone; 11-Norbourbonan-1-one; Norbourbonone; 1-nor-Bourbonanone; Bourbonanone <1-nor
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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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 |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 25. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 70. |
| Tend (C) | 275. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1558. |
| Reference | Javidnia, Miri, et al., 2002 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Safavi, F.; Azarpira, A.; Shafiee, A.,
Composition of the essential oil of Nepeta persica Boiss from Iran,
Flavour Fragr. J., 2002, 17, 1, 20-22, https://doi.org/10.1002/ffj.1023
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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