| SpectraBase Spectrum ID |
JJVvwOsqjhY |
| Name |
alpha-Humulene |
| CAS Registry Number |
6753-98-6 |
| Classification |
Plant pheromone |
| 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/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
| InChIKey |
FAMPSKZZVDUYOS-HRGUGZIWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Quality |
992 |
| Retention Index |
1478 |
| SMILES |
C1(\C=C\C\C(=C\CC\C(=C\C1)C)C)(C)C |
| SPLASH |
splash10-0006-9300000000-fef27535fa2fc95c2061 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,6,6,9-Tetramethyl-(E,E,E)-1,4,8-cycloundecatriene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008269 |
