| SpectraBase Spectrum ID |
IT0Uy2sqEce |
| Name |
Valproic acid, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.349780719 u |
| Formula |
C23H46O2 |
| InChI |
InChI=1S/C23H46O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-25-23(24)22(19-5-2)20-6-3/h22H,4-21H2,1-3H3 |
| InChIKey |
NKNMZKVGWANXAC-UHFFFAOYSA-N |
| Molecular Weight |
354.619 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCCC)C(CCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949376 |
