| SpectraBase Spectrum ID |
B4nMa1bWTau |
| Name |
Benzoic acid, 2,4-dimethyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.349780719 u |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-27(28)26-21-20-24(2)23-25(26)3/h20-21,23H,4-19,22H2,1-3H3 |
| InChIKey |
OOJZJMVAUXUTLN-UHFFFAOYSA-N |
| Molecular Weight |
402.663 g/mol |
| SMILES |
C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927636 |
