| SpectraBase Spectrum ID |
3att8U1UF0x |
| Name |
alpha-Bulnesene |
| Classification |
Sesquiterpene |
| 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/c1-10(2)14-8-11(3)7-13-6-5-12(4)15(13)9-14/h7,11-12,14-15H,1,5-6,8-9H2,2-4H3/t11?,12-,14+,15?/m1/s1 |
| InChIKey |
HROMLZJUDUIZAM-JANAKTCESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Quality |
976 |
| Retention Index |
1519 |
| SMILES |
C12C(=CC(C[C@@](C2)(C(=C)C)[H])C)CC[C@]1(C)[H] |
| SPLASH |
splash10-0a4l-5900000000-792996d9e20868cfccf1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032331 |
