(1R,3aS,4aS,8aS)-1,4,4,6-Tetramethyl-1,2,3,3a,4,4a,7,8-octahydrocyclopenta[1,4]cyclobuta[1,2]benzene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3
- IUPAC Standard InChIKey: BWAXOYJGXIEEOE-UHFFFAOYSA-N
- CAS Registry Number: 94535-52-1
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cyclopenta[1,4]cyclobuta[1,2]benzene, 1,2,3,3a,4,4a,7,8-octahydro-1,4,4,6-tetramethyl-, (1R,3aS,4aS,8aS)-rel-(-)-; Cyclopenta[1,4]cyclobuta[1,2]benzene, 1,2,3,3a,4,4a,7,8-octahydro-1,4,4,6-tetramethyl-, (1α,3aα,4aβ,8aS*)-(-)-; (-)-Italicene; Italicene
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Normal alkane RI, 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 | Capillary |
|---|---|---|
| Active phase | Supelcowax-10 | Innowax FSC |
| Column length (m) | 30. | 60. |
| Carrier gas | Helium | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 40. | 60. |
| Tend (C) | 210. | 220. |
| Heat rate (K/min) | 2. | 4. |
| Initial hold (min) | 2. | 10. |
| Final hold (min) | 33. | |
| I | 1489. | 1557. |
| Reference | Lopez Arze, Collin, et al., 2004 | Lourens, Reddy, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Lopez Arze, Collin, et al., 2004
Lopez Arze, J.B.; Collin, G.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.,
Essential oils from Bolivia. II. Asteraceae: Ophryosporus heptanthus (Wedd.) H. Rob. et King,
J. Essent. Oil Res., 2004, 16, 4, 374-376, https://doi.org/10.1080/10412905.2004.9698747
. [all data]
Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F.,
In vitro Biological Activity and Essential Oil Composition of Four Indigenous South Africal Helichrysum Species,
J. Ethnopharmacol., 2004, 95, 2-3, 253-258, https://doi.org/10.1016/j.jep.2004.07.027
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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