| SpectraBase Spectrum ID |
15pDiczO6Lb |
| Name |
Bisabolone <6S,7R-> |
| CAS Registry Number |
72441-70-4 |
| 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 |
220.182715392 u |
| Formula |
C15H24O |
| 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/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+/m0/s1 |
| InChIKey |
KNOUERLLBMJGLF-UONOGXRCSA-N |
| Molecular Weight |
220.356 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
116 |
| SMILES |
[C@]1(CCC(=CC1=O)C)([C@](CCC=C(C)C)(C)[H])[H] |
| SPLASH |
splash10-000i-7900000000-113695581112903926f6 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000189 |
