| SpectraBase Spectrum ID |
K3UqRmwXF9E |
| Name |
Octanoic acid, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.381080848 u |
| Formula |
C25H50O2 |
| InChI |
InChI=1S/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27-25(26)23-21-19-8-6-4-2/h3-24H2,1-2H3 |
| InChIKey |
MIWLNETUSLFSMQ-UHFFFAOYSA-N |
| Molecular Weight |
382.673 g/mol |
| SMILES |
C(CCCCCCCCCCCC)CCCCOC(=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915606 |
