| SpectraBase Spectrum ID |
47x6QsT6vdN |
| Name |
Thunbergol |
| CAS Registry Number |
25269-17-4 |
| Classification |
Essential oil |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
290.260965714 u |
| Formula |
C20H34O |
| InChI |
InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10-,18-9+ |
| InChIKey |
YAPXSYXFLHDPCK-NOEHIDRGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
290.491 g/mol |
| Nominal Mass |
290 u |
| Quality |
900 |
| Retention Index |
2087 |
| SMILES |
OC1(\C=C\C(C(C)C)CC\C(=C\CC\C(=C/CC1)C)C)C |
| SPLASH |
splash10-052f-9800000000-755f2395e351b56f08eb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2E,7E,11E)-1,7,11-Trimethyl-4-(propan-2-yl)cyclotetradeca-2,7,11-trien-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030554 |
