| SpectraBase Spectrum ID |
Bxgml6q6Zg2 |
| Name |
(9Z,12Z,15Z)-2,3-Dimethoxypropyl octadeca-9,12,15-trienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)27-21-22(26-3)20-25-2/h5-6,8-9,11-12,22H,4,7,10,13-21H2,1-3H3/b6-5-,9-8-,12-11- |
| InChIKey |
BCNRPQLYGMNZFE-AGRJPVHOSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(CCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OCC(COC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933727 |
