| SpectraBase Spectrum ID |
4XVJ4CliQFH |
| Name |
Bisabolol acetate |
| CAS Registry Number |
25428-44-8 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
264.208930140 u |
| Formula |
C17H28O2 |
| InChI |
InChI=1S/C17H28O2/c1-13(2)7-6-12-17(5,19-15(4)18)16-10-8-14(3)9-11-16/h7-8,16H,6,9-12H2,1-5H3/t16-,17+/m0/s1 |
| InChIKey |
RQYNNIWGGJJGDH-DLBZAZTESA-N |
| Molecular Weight |
264.409 g/mol |
| Number of Peaks |
50 |
| RI1 |
1797 |
| SMILES |
C=1(CC[C@](CC1)([C@](C)(OC(C)=O)CCC=C(C)C)[H])C |
| SPLASH |
splash10-00kf-9300000000-c356a2dc4461ded89250 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-penten-1-yl)-, 1-acetate, |
| Wiley ID |
LM_FFNSC3_2763 |
