| SpectraBase Spectrum ID |
DHwvDOgi4PL |
| Name |
Benzoic acid, 2,4-dimethyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-4-5-6-7-8-9-10-11-12-13-16-23-21(22)20-15-14-18(2)17-19(20)3/h14-15,17H,4-13,16H2,1-3H3 |
| InChIKey |
GQTNKLLJAQMRLR-UHFFFAOYSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885532 |
