| SpectraBase Compound ID | 4wPUQ8mcBnG |
|---|---|
| InChI | InChI=1S/C12H11ClN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,16,17) |
| InChIKey | LMIAUFPOUMFDJB-UHFFFAOYSA-N |
| Mol Weight | 250.68 g/mol |
| Molecular Formula | C12H11ClN2O2 |
| Exact Mass | 250.050905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tzhNUDpFZ5 |
|---|---|
| Name | 1-(4-Chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.050905300 u |
| Formula | C12H11ClN2O2 |
| InChI | InChI=1S/C12H11ClN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,16,17) |
| InChIKey | LMIAUFPOUMFDJB-UHFFFAOYSA-N |
| Molecular Weight | 250.685 g/mol |
| SMILES | C1(=NN(C(=C1C(=O)O)C)C1=CC=C(C=C1)Cl)C |