| SpectraBase Spectrum ID |
2pG26buAMAi |
| Name |
cis-alpha-Bergamotene |
| CAS Registry Number |
18252-46-5 |
| Classification |
Sesquiterpene, fragrance |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
204.187800773 u |
| Formula |
C15H24 |
| InChI |
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15?/m1/s1 |
| InChIKey |
YMBFCQPIMVLNIU-GRKKQISMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Quality |
979 |
| Retention Index |
1519 |
| SMILES |
C1([C@@]2(C[C@]1(CC=C2C)[H])[H])(CCC=C(C)C)C |
| SPLASH |
splash10-00kf-9600000000-09bad4e2ee94451ba2cb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Norpinene,2,6-dimethyl-6-(4-methyl-3-pentenyl)
(1S,5S,6S)-2,6-Dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-ene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023820 |
