| SpectraBase Spectrum ID |
EDbZej5ZZ4w |
| Name |
Stearic acid, isohexyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(25)26-22-19-20-23(2)3/h23H,4-22H2,1-3H3 |
| InChIKey |
QAVGGDHXVIJOBB-UHFFFAOYSA-N |
| Molecular Weight |
368.646 g/mol |
| SMILES |
C(=O)(OCCCC(C)C)CCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922487 |
