| SpectraBase Spectrum ID |
2ksQcpmnCDI |
| Name |
alpha-Bisabolol |
| CAS Registry Number |
72691-24-8 |
| Classification |
Ingredient of skin care product |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15?/m0/s1 |
| InChIKey |
RGZSQWQPBWRIAQ-MLCCFXAWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Quality |
986 |
| Retention Index |
1599 |
| SMILES |
OC([C@]1(CC=C(CC1)C)[H])(CCC=C(C)C)C |
| SPLASH |
splash10-05mo-9400000000-e5119300b50929771ac0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-Methyl-2-(4-methyl-1-cyclohex-3-enyl)hept-5-en-2-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006905 |
