| SpectraBase Compound ID | 3jX4HT0ozeZ |
|---|---|
| InChI | InChI=1S/C10H7ClN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12-13/h1-7H |
| InChIKey | GTJZPRTULNTAOS-UHFFFAOYSA-N |
| Mol Weight | 206.63 g/mol |
| Molecular Formula | C10H7ClN2O |
| Exact Mass | 206.024691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlLfLCIIGpe |
|---|---|
| Name | 1-(4-Chlorobenzoyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.024690552 u |
| Formula | C10H7ClN2O |
| InChI | InChI=1S/C10H7ClN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12-13/h1-7H |
| InChIKey | GTJZPRTULNTAOS-UHFFFAOYSA-N |
| Molecular Weight | 206.632 g/mol |
| SMILES | C=1C(Cl)=CC=C(C(N2N=CC=C2)=O)C1 |