| SpectraBase Spectrum ID |
DeUsM61GFKj |
| Name |
Octanoic acid, 4-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/c1-4-7-9-11-12-13-14-16-17-20-22(19-6-3)25-23(24)21-18-15-10-8-5-2/h22H,4-21H2,1-3H3 |
| InChIKey |
PZPBLLRHFSTIIF-UHFFFAOYSA-N |
| Molecular Weight |
354.619 g/mol |
| SMILES |
CCCC(OC(=O)CCCCCCC)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926567 |
