| SpectraBase Spectrum ID |
DOiIn7An695 |
| Name |
o-Chlorobenzoic acid, 2,4-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.951162563 u |
| Formula |
C13H7Cl3O2 |
| InChI |
InChI=1S/C13H7Cl3O2/c14-8-5-6-12(11(16)7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7H |
| InChIKey |
PMRFDDONDWDTFW-UHFFFAOYSA-N |
| Molecular Weight |
301.556 g/mol |
| SMILES |
C1=C(C(=CC=C1)C(OC=1C(=CC(=CC1)Cl)Cl)=O)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.90703 |
