| SpectraBase Spectrum ID |
9s8hc50TvMh |
| Name |
1-cis-Vaccenoylglycerol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7- |
| InChIKey |
KJHYUSLWTPMFTN-FPLPWBNLSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(OC(CCCCCCCCC\C=C/CCCCCC)=O)C(O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974244 |
