| SpectraBase Compound ID | LF1tZXNJYYP |
|---|---|
| InChI | InChI=1S/C13H8Cl2O2/c14-9-5-7-10(8-6-9)17-13(16)11-3-1-2-4-12(11)15/h1-8H |
| InChIKey | FAWUTQLFEATJSE-UHFFFAOYSA-N |
| Mol Weight | 267.11 g/mol |
| Molecular Formula | C13H8Cl2O2 |
| Exact Mass | 265.990135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ge4CVGdxZaX |
|---|---|
| Name | 2-Chlorobenzoic acid, 4-chlorophenyl 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/c14-9-5-7-10(8-6-9)17-13(16)11-3-1-2-4-12(11)15/h1-8H |
| InChIKey | FAWUTQLFEATJSE-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1Cl)C(OC=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829226 |