| SpectraBase Compound ID | 9LNY5i2g6dx |
|---|---|
| InChI | InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12) |
| InChIKey | PCTFIHOVQYYAMH-UHFFFAOYSA-N |
| Mol Weight | 246.56 g/mol |
| Molecular Formula | C7H3ClN2O6 |
| Exact Mass | 245.967964 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8hIZTmkJDXa |
|---|---|
| Name | 4-Chloro-3,5-dinitrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.967963519 u |
| Formula | C7H3ClN2O6 |
| InChI | InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12) |
| InChIKey | PCTFIHOVQYYAMH-UHFFFAOYSA-N |
| Molecular Weight | 246.562 g/mol |
| SMILES | OC(C=1C=C(C(=C(C1)N(=O)=O)Cl)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.965884 |