| SpectraBase Compound ID | HmjnohWkYmi |
|---|---|
| InChI | InChI=1S/C7H4ClN3O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H,(H2,9,12) |
| InChIKey | XIYABENEBOSULF-UHFFFAOYSA-N |
| Mol Weight | 245.58 g/mol |
| Molecular Formula | C7H4ClN3O5 |
| Exact Mass | 244.983948 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kn4edHEuf8X |
|---|---|
| Name | 4-Chloro-3,5-dinitrobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.983947936 u |
| Formula | C7H4ClN3O5 |
| InChI | InChI=1S/C7H4ClN3O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H,(H2,9,12) |
| InChIKey | XIYABENEBOSULF-UHFFFAOYSA-N |
| SMILES | NC(C=1C=C(C(=C(C1)N(=O)=O)Cl)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.817834 |