| SpectraBase Spectrum ID |
DWnkJ3Tspbr |
| Name |
Heptadecanoic acid, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.365430784 u |
| Formula |
C24H48O2 |
| InChI |
InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24(25)26-23-21-19-8-6-4-2/h3-23H2,1-2H3 |
| InChIKey |
WAQGUYFLJGBECH-UHFFFAOYSA-N |
| Molecular Weight |
368.646 g/mol |
| SMILES |
C(CCC(OCCCCCCC)=O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809071 |
