| SpectraBase Compound ID | 91yRQRqvbVy |
|---|---|
| InChI | InChI=1S/C13H8Cl2O2/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h1-8H |
| InChIKey | HWBBXJJNPXEHIQ-UHFFFAOYSA-N |
| Mol Weight | 267.11 g/mol |
| Molecular Formula | C13H8Cl2O2 |
| Exact Mass | 265.990135 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IE2jFtJR4Hj |
|---|---|
| Name | o-Chlorobenzoic acid, o-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/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h1-8H |
| InChIKey | HWBBXJJNPXEHIQ-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1)C(OC=1C(=CC=CC1)Cl)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.986417 |