| SpectraBase Compound ID | 7Q2fqADRolk |
|---|---|
| InChI | InChI=1S/C7H5ClN2O3/c8-4-1-2-6(10(12)13)5(3-4)7(9)11/h1-3H,(H2,9,11) |
| InChIKey | MKHXTOPPKVFSFI-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 | A64gSI43zD1 |
|---|---|
| Name | 5-Chloro-2-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/c8-4-1-2-6(10(12)13)5(3-4)7(9)11/h1-3H,(H2,9,11) |
| InChIKey | MKHXTOPPKVFSFI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=C(C(C(=O)N)=C1)[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Raman) | 0.966227 |