| SpectraBase Spectrum ID |
HyANXLGJHoa |
| Name |
alpha-Bergamotene |
| CAS Registry Number |
17699-05-7 |
| Classification |
Essential oil ingredient, scent in perfumes, cosmetics, soaps and candles |
| 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-RBSFLKMASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Quality |
1000 |
| Retention Index |
1519 |
| SMILES |
[C@]1([C@@]2(C[C@]1(CC=C2C)[H])[H])(CCC=C(C)C)C |
| SPLASH |
splash10-00kf-9400000000-1f0395a220458164eb07 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4,7-Dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009693 |
