| SpectraBase Spectrum ID |
DkX3hROY4Aq |
| Name |
beta-Elemene |
| Classification |
Sesquiterpenoid |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
204.187800773 u |
| Formula |
C15H24 |
| InChI |
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1 |
| InChIKey |
OPFTUNCRGUEPRZ-QLFBSQMISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Quality |
998 |
| Retention Index |
1478 |
| SMILES |
[C@]1([C@@](CC[C@](C1)(C(=C)C)[H])(C=C)C)(C(=C)C)[H] |
| SPLASH |
splash10-05nf-9500000000-1478af9207e67db59330 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,2S,4R)-1-Ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027346 |
