| SpectraBase Compound ID | 9ntIOAUrofd |
|---|---|
| InChI | InChI=1S/C7H5ClN2O3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,(H2,9,11) |
| InChIKey | SDHXWAPVLOGAJR-UHFFFAOYSA-N |
| Mol Weight | 200.58 g/mol |
| Molecular Formula | C7H5ClN2O3 |
| Exact Mass | 199.99887 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6aWGdDkcVBo |
|---|---|
| Name | 2-Chloro-5-nitrobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.998869726 u |
| Formula | C7H5ClN2O3 |
| InChI | InChI=1S/C7H5ClN2O3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,(H2,9,11) |
| InChIKey | SDHXWAPVLOGAJR-UHFFFAOYSA-N |
| Molecular Weight | 200.581 g/mol |
| SMILES | N(=O)(=O)C=1C=C(C(=CC1)Cl)C(N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.9632 |