| SpectraBase Spectrum ID |
1aTSNwhOnuT |
| Name |
(Z,Z)-3,13-Octadecadien-1-ol acetate; (Z,Z)-3,13-octadecadienyl acetate; 3,13-octadecadien-1-ol, acetate, (Z,Z)-; cis-3,cis-13-octadecadien-1-ol acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.271530397 u |
| Formula |
C20H36O2 |
| InChI |
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3/b7-6-,17-16- |
| InChIKey |
VVJPJXKHBZNADP-DNNFRFAMSA-N |
| Molecular Weight |
308.506 g/mol |
| SMILES |
C(C\C=C/CCCCCCCC\C=C/CCCC)OC(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.993975 |
