| SpectraBase Compound ID | HUXAwp34JZJ |
|---|---|
| InChI | InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15) |
| InChIKey | WYTQCLKZYRFUIQ-UHFFFAOYSA-N |
| Mol Weight | 222.63 g/mol |
| Molecular Formula | C10H7ClN2O2 |
| Exact Mass | 222.019605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFt3iubM8vU |
|---|---|
| Name | 3-(4-Chlorophenyl)-1H-pyrazole-5-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.019605171 u |
| Formula | C10H7ClN2O2 |
| InChI | InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15) |
| InChIKey | WYTQCLKZYRFUIQ-UHFFFAOYSA-N |
| Molecular Weight | 222.631 g/mol |
| SMILES | N1C(C(=O)O)=CC(C=2C=CC(=CC2)Cl)=N1 |