| SpectraBase Spectrum ID |
GjJLAZ5NT0k |
| Name |
Valproic acid, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.396730912 u |
| Formula |
C26H52O2 |
| InChI |
InChI=1S/C26H52O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-26(27)25(22-5-2)23-6-3/h25H,4-24H2,1-3H3 |
| InChIKey |
XWGSCEIAVGBMEG-UHFFFAOYSA-N |
| Molecular Weight |
396.700 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCCCCCC)C(CCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974524 |
