| SpectraBase Compound ID | I28cBnEUy6Q |
|---|---|
| InChI | InChI=1S/C14H13ClN2O2/c1-8-13(9(2)18)14(10(3)19)16-17(8)12-6-4-5-11(15)7-12/h4-7H,1-3H3 |
| InChIKey | ORVGAIVMZFELHW-UHFFFAOYSA-N |
| Mol Weight | 276.72 g/mol |
| Molecular Formula | C14H13ClN2O2 |
| Exact Mass | 276.066555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCQRB6Ezdix |
|---|---|
| Name | 1,1'-(1-(3-Chlorophenyl)-5-methyl-1H-pyrazole-3,4-diyl)diethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.066555365 u |
| Formula | C14H13ClN2O2 |
| InChI | InChI=1S/C14H13ClN2O2/c1-8-13(9(2)18)14(10(3)19)16-17(8)12-6-4-5-11(15)7-12/h4-7H,1-3H3 |
| InChIKey | ORVGAIVMZFELHW-UHFFFAOYSA-N |
| SMILES | C=1(C(=NN(C1C)C1=CC=CC(=C1)Cl)C(=O)C)C(=O)C |