| SpectraBase Compound ID | At56QWtP8Is |
|---|---|
| InChI | InChI=1S/C13H8N4O8/c18-13(19)7-2-1-3-8(4-7)14-12-10(16(22)23)5-9(15(20)21)6-11(12)17(24)25/h1-6,14H,(H,18,19) |
| InChIKey | POECFHVTFLONRY-UHFFFAOYSA-N |
| Mol Weight | 348.23 g/mol |
| Molecular Formula | C13H8N4O8 |
| Exact Mass | 348.034213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Q8GfIdrOhw |
|---|---|
| Name | m-(2,4,6-Trinitroanilino)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.034213226 u |
| Formula | C13H8N4O8 |
| InChI | InChI=1S/C13H8N4O8/c18-13(19)7-2-1-3-8(4-7)14-12-10(16(22)23)5-9(15(20)21)6-11(12)17(24)25/h1-6,14H,(H,18,19) |
| InChIKey | POECFHVTFLONRY-UHFFFAOYSA-N |
| Molecular Weight | 348.227 g/mol |
| SMILES | N(=O)(=O)C1=CC(=CC(=C1NC1=CC(C(O)=O)=CC=C1)N(=O)=O)N(=O)=O |