| SpectraBase Spectrum ID |
4jGAkNHO2 |
| Name |
m-Toluic acid, 2-tridecyl 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/c1-4-5-6-7-8-9-10-11-12-15-19(3)23-21(22)20-16-13-14-18(2)17-20/h13-14,16-17,19H,4-12,15H2,1-3H3 |
| InChIKey |
GSVQSTQLFPVALC-UHFFFAOYSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(OC(CCCCCCCCCCC)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900621 |
