| SpectraBase Spectrum ID |
3AgxzcXfD5s |
| Name |
11-cis-Vaccenyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.287180462 u |
| Formula |
C20H38O2 |
| InChI |
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8- |
| InChIKey |
QSZKEDWVAOAFQY-HJWRWDBZSA-N |
| Molecular Weight |
310.522 g/mol |
| SMILES |
C(\C=C/CCCCCCCCCCOC(C)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942106 |
