| SpectraBase Spectrum ID |
GX4lbd40LdQ |
| Name |
alpha-Cubebene |
| CAS Registry Number |
17699-14-8 |
| Classification |
Fragrance, flavor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
204.187800773 u |
| Formula |
C15H24 |
| InChI |
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15?/m1/s1 |
| InChIKey |
XUEHVOLRMXNRKQ-PFNKYVCDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Quality |
915 |
| Retention Index |
1561 |
| SMILES |
C123[C@@]([C@]3([C@@](CC[C@]1(C)[H])(C(C)C)[H])[H])(C(=CC2)C)[H] |
| SPLASH |
splash10-07bf-7900000000-2b0d85c1ee37b73a9782 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3aS,3bR,4S,7R,7aR)-4-iso-Propyl-3,7-dimethyl-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[1,3]-\rcyclopropa[1,2]benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009840 |
