| SpectraBase Spectrum ID |
4qvXs2iG3yP |
| Name |
Pentadecanoic acid, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.318480590 u |
| Formula |
C21H42O2 |
| InChI |
InChI=1S/C21H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-8-6-4-2/h3-20H2,1-2H3 |
| InChIKey |
GZBPCQHMAJAZNJ-UHFFFAOYSA-N |
| Molecular Weight |
326.565 g/mol |
| SMILES |
C(CCC(OCCCCCC)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881238 |
