| SpectraBase Spectrum ID |
6C5jALZqO90 |
| Name |
(4R,4as)-(+)-4,4A-dimethyl-6-isopropylidene-4,4A,5,6,7,8-hexahydro(3H)-naphthalen-2-one [(+)-.alpha.-vetivone] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1 |
| InChIKey |
NIIPDXITZPFFTE-ABAIWWIYSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
[C@@]12(C(=CC(C[C@]2(C)[H])=O)CCC(C1)=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829495 |
