| SpectraBase Spectrum ID |
4rtmIq4f3mF |
| Name |
(9Z,12Z)-1-Hydroxy-3-methoxypropan-2-yl octadeca-9,12-dienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)26-21(19-23)20-25-2/h7-8,10-11,21,23H,3-6,9,12-20H2,1-2H3/b8-7-,11-10- |
| InChIKey |
NZORTWJTPAPCMO-NQLNTKRDSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(CCCCCCC\C=C/C\C=C/CCCCC)(=O)OC(CO)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961762 |
