| SpectraBase Spectrum ID |
dN3Yn1J6JN |
| Name |
o-Toluic acid, 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/c1-3-4-5-6-7-8-9-10-11-12-15-18-23-21(22)20-17-14-13-16-19(20)2/h13-14,16-17H,3-12,15,18H2,1-2H3 |
| InChIKey |
MMJDBBMEDIQQKC-UHFFFAOYSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCC)C=1C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898685 |
