| SpectraBase Spectrum ID |
LStoOgOYzvF |
| Name |
Benzoic acid, 2,4-dimethyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.318480590 u |
| Formula |
C25H42O2 |
| InChI |
InChI=1S/C25H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-25(26)24-19-18-22(2)21-23(24)3/h18-19,21H,4-17,20H2,1-3H3 |
| InChIKey |
GOKHOQTZVIRTQG-UHFFFAOYSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908802 |
