| SpectraBase Spectrum ID |
BZjZRJfLD2t |
| Name |
Benzoic acid, 3,4-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.990134896 u |
| Formula |
C13H8Cl2O2 |
| InChI |
InChI=1S/C13H8Cl2O2/c14-11-7-6-10(8-12(11)15)17-13(16)9-4-2-1-3-5-9/h1-8H |
| InChIKey |
RPLHUYYGJWQIFA-UHFFFAOYSA-N |
| Molecular Weight |
267.111 g/mol |
| SMILES |
C1=C(C=CC=C1)C(=O)OC1=CC(=C(C=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804644 |
