| SpectraBase Spectrum ID |
K17WaBq4iew |
| Name |
o-Toluic acid, 5-tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.271530397 u |
| Formula |
C22H36O2 |
| InChI |
InChI=1S/C22H36O2/c1-4-6-8-9-10-11-12-17-20(16-7-5-2)24-22(23)21-18-14-13-15-19(21)3/h13-15,18,20H,4-12,16-17H2,1-3H3 |
| InChIKey |
OELYLNAYLYJGSC-UHFFFAOYSA-N |
| Molecular Weight |
332.528 g/mol |
| SMILES |
C1=CC=C(C(=C1)C)C(OC(CCCCCCCCC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91641 |
