| SpectraBase Compound ID | 3wdRN31xKn2 |
|---|---|
| InChI | InChI=1S/C7H6N2O4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,8H2,(H,10,11) |
| InChIKey | ZNVHAQRPXAQKRU-UHFFFAOYSA-N |
| Mol Weight | 182.14 g/mol |
| Molecular Formula | C7H6N2O4 |
| Exact Mass | 182.032757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Iufp5eYKQ58 |
|---|---|
| Name | 3-Amino-5-nitrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.032756677 u |
| Formula | C7H6N2O4 |
| InChI | InChI=1S/C7H6N2O4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,8H2,(H,10,11) |
| InChIKey | ZNVHAQRPXAQKRU-UHFFFAOYSA-N |
| Molecular Weight | 182.135 g/mol |
| SMILES | N(=O)(=O)C1=CC(=CC(C(O)=O)=C1)N |
| Spectrum/Structure Validation Score (Raman) | 0.985455 |