SpectraBase Spectrum ID |
8rrex0vBX0J |
Name |
Bisabolol acetate |
CAS Registry Number |
25428-44-8 |
Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
Exact Mass |
264.208930140 u |
Formula |
C17H28O2 |
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/C17H28O2/c1-13(2)7-6-12-17(5,19-15(4)18)16-10-8-14(3)9-11-16/h7-8,16H,6,9-12H2,1-5H3/t16-,17+/m1/s1 |
InChIKey |
RQYNNIWGGJJGDH-SJORKVTESA-N |
Molecular Weight |
264.409 g/mol |
Nominal Mass |
264 u |
Number of Peaks |
71 |
SMILES |
CC(=O)O[C@]([C@@]1(CC=C(CC1)C)[H])(CCC=C(C)C)C |
SPLASH |
splash10-00kf-9300000000-d1f484a3c760bc94d998 |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA000182 |