| SpectraBase Compound ID | 7jCTSf0GCFk |
|---|---|
| InChI | InChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H |
| InChIKey | RSINFFVFOTUDEC-UHFFFAOYSA-N |
| Mol Weight | 209.46 g/mol |
| Molecular Formula | C7H3Cl3O |
| Exact Mass | 207.924948 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EAbycYRK8mH |
|---|---|
| Name | 2,5-Dichlorobenzoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.924947816 u |
| Formula | C7H3Cl3O |
| InChI | InChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H |
| InChIKey | RSINFFVFOTUDEC-UHFFFAOYSA-N |
| Molecular Weight | 209.459 g/mol |
| SMILES | C1=C(Cl)C=CC(=C1C(=O)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.948782 |