| SpectraBase Spectrum ID |
L03uoTJSXEj |
| Name |
(9Z,12Z,15Z)-2,3-Dihydroxypropyl-octadecatrienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/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/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9- |
| InChIKey |
GGJRAQULURVTAJ-PDBXOOCHSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930276 |
