| SpectraBase Compound ID | KXPf398yIBE |
|---|---|
| InChI | InChI=1S/C7H4N2O6/c10-7(11)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,10,11) |
| InChIKey | HKKWSIQQYJTJLW-UHFFFAOYSA-N |
| Mol Weight | 212.12 g/mol |
| Molecular Formula | C7H4N2O6 |
| Exact Mass | 212.006936 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Hi73mqmy4LK |
|---|---|
| Name | 2,6-Dinitrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.006935851 u |
| Formula | C7H4N2O6 |
| InChI | InChI=1S/C7H4N2O6/c10-7(11)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,10,11) |
| InChIKey | HKKWSIQQYJTJLW-UHFFFAOYSA-N |
| SMILES | OC(C=1C(=CC=CC1N(=O)=O)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.997126 |