| SpectraBase Spectrum ID |
3oAvAepBiSC |
| Name |
Bisabolol |
| CAS Registry Number |
23178-88-3 |
| 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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-GJZGRUSLSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
165 |
| SMILES |
O[C@](CCC=C(C)C)(C)[C@@]1(CCC(=CC1)C)[H] |
| SPLASH |
splash10-00kf-9400000000-4c2f2d24ad33d43445ae |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000187 |
