| SpectraBase Compound ID | GsSagv2UGyC |
|---|---|
| InChI | InChI=1S/C7H4ClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11) |
| InChIKey | JAHIPDTWWVYVRV-UHFFFAOYSA-N |
| Mol Weight | 201.56 g/mol |
| Molecular Formula | C7H4ClNO4 |
| Exact Mass | 200.982885 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kb4MfaWiJN0 |
|---|---|
| Name | 4-Chloro-2-nitrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.982885309 u |
| Formula | C7H4ClNO4 |
| InChI | InChI=1S/C7H4ClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11) |
| InChIKey | JAHIPDTWWVYVRV-UHFFFAOYSA-N |
| Molecular Weight | 201.565 g/mol |
| SMILES | N(=O)(=O)C1=CC(=CC=C1C(O)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.969114 |