| SpectraBase Spectrum ID |
DlAkulH7C3U |
| Name |
alpha-Patchoulene |
| CAS Registry Number |
560-32-7 |
| Classification |
Essential oil |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
204.187800773 u |
| Formula |
C15H24 |
| InChI |
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10?,12-,13?,15+/m1/s1 |
| InChIKey |
KVQOADNSNSUAJT-IONBAEIFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Quality |
990 |
| Retention Index |
1561 |
| SMILES |
[C@]123C([C@@](CC3C(CC1)C)(CC=C2C)[H])(C)C |
| SPLASH |
splash10-0a4l-6900000000-f404ae486743180bd0d3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
a-Patchoulene
1H-3a,7-Methanoazulene,2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-,(1alpha,3aalpha,7alpha,8abeta) |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014870 |
