| SpectraBase Spectrum ID |
9sRUBIy2IQi |
| Name |
Bisabolol |
| CAS Registry Number |
515-69-5 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. 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-LSDHHAIUSA-N |
| Molecular Weight |
222.372 g/mol |
| Number of Peaks |
50 |
| RI1 |
1688 |
| RI2 |
1365 |
| SMILES |
O[C@@]([C@]1(CC=C(CC1)C)[H])(CCC=C(C)C)C |
| SPLASH |
splash10-014l-9300000000-c77f330bea766f3a69c1 |
| 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-pentenyl)-, (alphaR,1R)- |
| Wiley ID |
LM_FFNSC3_1008 |
