| SpectraBase Spectrum ID |
IoXiv6YnAVF |
| Name |
Bisabolol |
| CAS Registry Number |
15352-77-9 |
| 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)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m1/s1 |
| InChIKey |
WTVHAMTYZJGJLJ-CABCVRRESA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
161 |
| SMILES |
O[C@]1([C@@](CCC=C(C)C)(C)[H])CCC(=CC1)C |
| SPLASH |
splash10-000x-9200000000-065bfc5b0c1090c378c0 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000186 |
