| SpectraBase Spectrum ID |
Cwrn8mwl0qS |
| Name |
2-Chlorobenzoic acid, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.201257936 u |
| Formula |
C20H31ClO2 |
| InChI |
InChI=1S/C20H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-20(22)18-15-12-13-16-19(18)21/h12-13,15-16H,2-11,14,17H2,1H3 |
| InChIKey |
RIBWAZGMFLYEHT-UHFFFAOYSA-N |
| Molecular Weight |
338.919 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCC)C=1C(Cl)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888029 |
