| SpectraBase Spectrum ID |
IFif2cwU849 |
| Name |
Octanoic acid, 4-hexadecyl 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/c1-4-7-9-11-12-13-14-15-17-18-21-23(20-6-3)26-24(25)22-19-16-10-8-5-2/h23H,4-22H2,1-3H3 |
| InChIKey |
VQLFIPLVIHXUCS-UHFFFAOYSA-N |
| Molecular Weight |
368.646 g/mol |
| SMILES |
C(CCCCCCCC)CCCC(CCC)OC(=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896298 |
