| SpectraBase Spectrum ID |
L8gFcNegCEk |
| Name |
Vetivenic acid |
| CAS Registry Number |
16203-25-1 |
| 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| 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/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,15-/m0/s1 |
| InChIKey |
IJGMVUXEZUEDJR-ASHKBJFXSA-N |
| Molecular Weight |
234.339 g/mol |
| Nominal Mass |
234 u |
| Number of Peaks |
131 |
| SMILES |
OC(=O)[C@]1([C@@]23[C@](C(=C)C([C@](C3)(CC2)[H])(C)C)(CC1)[H])[H] |
| SPLASH |
splash10-00kf-7910000000-b6d0d49953a6dfa1b7b8 |
| Source |
ex VETIVER, BERJE', INDONESIA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001396 |
