| SpectraBase Spectrum ID |
En6pIoGjqzn |
| Name |
Octanoic acid, tridecyl 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/c1-3-5-7-9-10-11-12-13-14-16-18-20-23-21(22)19-17-15-8-6-4-2/h3-20H2,1-2H3 |
| InChIKey |
JYQFMBYXIWYNBD-UHFFFAOYSA-N |
| Molecular Weight |
326.565 g/mol |
| SMILES |
CCCCCCCCCCCCCOC(=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874211 |
