| SpectraBase Spectrum ID |
2Si3FHZe6vI |
| 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 |
| 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-/m1/s1 |
| InChIKey |
IJGMVUXEZUEDJR-RTWAVKEYSA-N |
| Molecular Weight |
234.339 g/mol |
| Number of Peaks |
50 |
| RI1 |
1812 |
| RI2 |
1489 |
| SMILES |
OC([C@@]1([C@@]23[C@](CC1)(C(C([C@](CC3)(C2)[H])(C)C)=C)[H])[H])=O |
| SPLASH |
splash10-014l-5900000000-3b1d48a34249a809bcba |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)- |
| Wiley ID |
LM_FFNSC3_1924 |
