| SpectraBase Spectrum ID |
7OJ3G0ylW8p |
| Name |
o-Toluic acid, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.334130655 u |
| Formula |
C26H44O2 |
| InChI |
InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-26(27)25-22-19-18-21-24(25)2/h18-19,21-22H,3-17,20,23H2,1-2H3 |
| InChIKey |
DDBNDPFMAYKYRG-UHFFFAOYSA-N |
| Molecular Weight |
388.636 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCCCCCC)C=1C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931662 |
