| SpectraBase Compound ID | 4i2RcxjrHrX |
|---|---|
| InChI | InChI=1S/C10H7N3O4/c14-10(15)7-5-11-12(6-7)8-3-1-2-4-9(8)13(16)17/h1-6H,(H,14,15) |
| InChIKey | MQAJHIZBDRTTFA-UHFFFAOYSA-N |
| Mol Weight | 233.18 g/mol |
| Molecular Formula | C10H7N3O4 |
| Exact Mass | 233.043656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38ukADwzTQI |
|---|---|
| Name | 1-(2-Nitrophenyl)pyrazole-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.043655713 u |
| Formula | C10H7N3O4 |
| InChI | InChI=1S/C10H7N3O4/c14-10(15)7-5-11-12(6-7)8-3-1-2-4-9(8)13(16)17/h1-6H,(H,14,15) |
| InChIKey | MQAJHIZBDRTTFA-UHFFFAOYSA-N |
| Molecular Weight | 233.183 g/mol |
| SMILES | C1(=CC=CC=C1N1C=C(C=N1)C(O)=O)N(=O)=O |