| SpectraBase Spectrum ID |
C33D1taSS1O |
| Name |
Thujopsene |
| CAS Registry Number |
470-40-6 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
204.187800773 u |
| Formula |
C15H24 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1 |
| InChIKey |
WXQGPFZDVCRBME-QEJZJMRPSA-N |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
123 |
| SMILES |
C[C@]12[C@@]3([C@](C(=CC2)C)(C3)[H])C(C)(C)CCC1 |
| SPLASH |
splash10-05tf-8900000000-646c101f7f3fa51f77d7 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001329 |
![(-)-(1aS,4aS,8aS)-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalene](/api/spectrum/C33D1taSS1O/structure.png?h=300&w=458 "(-)-(1aS,4aS,8aS)-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalene")
