| SpectraBase Spectrum ID |
1DQdBqooLD4 |
| Name |
Bisabolenal |
| CAS Registry Number |
147029-14-9 |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| 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/C15H22O/c1-12(2)5-4-6-13(3)15-9-7-14(11-16)8-10-15/h5,7,11,15H,3-4,6,8-10H2,1-2H3 |
| InChIKey |
JZLKKMAUZMMUMS-UHFFFAOYSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
127 |
| SMILES |
C(CC=C(C)C)C(C1CC=C(CC1)C=O)=C |
| SPLASH |
splash10-00kf-9400000000-f2acc7116cc5cea0e61c |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000177 |
