| SpectraBase Compound ID | 2bOZf02eTpp |
|---|---|
| InChI | InChI=1S/C13H9N3O6/c17-13(18)8-2-1-3-9(6-8)14-11-5-4-10(15(19)20)7-12(11)16(21)22/h1-7,14H,(H,17,18) |
| InChIKey | IXLRLXCTHVMJJM-UHFFFAOYSA-N |
| Mol Weight | 303.23 g/mol |
| Molecular Formula | C13H9N3O6 |
| Exact Mass | 303.049135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bybj5mTyNN9 |
|---|---|
| Name | m-(2,4-Dinitroanilino)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.049135016 u |
| Formula | C13H9N3O6 |
| InChI | InChI=1S/C13H9N3O6/c17-13(18)8-2-1-3-9(6-8)14-11-5-4-10(15(19)20)7-12(11)16(21)22/h1-7,14H,(H,17,18) |
| InChIKey | IXLRLXCTHVMJJM-UHFFFAOYSA-N |
| SMILES | C1=C(NC2=CC=C(C=C2N(=O)=O)N(=O)=O)C=CC=C1C(O)=O |