| SpectraBase Spectrum ID |
JIho7esLFQ0 |
| Name |
Patchouli alcohol |
| CAS Registry Number |
5986-55-0 |
| Classification |
Fragrance |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m0/s1 |
| InChIKey |
GGHMUJBZYLPWFD-SZWZKDINSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Quality |
986 |
| Retention Index |
1671 |
| SMILES |
O[C@]12[C@]3([C@@](C[C@](C2(C)C)(CC3)[H])([C@](CC1)(C)[H])[H])C |
| SPLASH |
splash10-0081-7910000000-de2c74e9811f19e8bc3a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Patchoulol
(1R,3R,6S,7S,8S)-2,2,6,8-Tetramethyltricyclo[5.3.1.03,8]undecan-3-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021924 |
