| SpectraBase Compound ID | 9idQTchrod8 |
|---|---|
| InChI | InChI=1S/C12H8ClF3N2O/c1-7-6-10(12(14,15)16)17-18(7)11(19)8-2-4-9(13)5-3-8/h2-6H,1H3 |
| InChIKey | HNGCBKHDWPUECA-UHFFFAOYSA-N |
| Mol Weight | 288.66 g/mol |
| Molecular Formula | C12H8ClF3N2O |
| Exact Mass | 288.027725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KypapVsgjed |
|---|---|
| Name | 1-(4-Chlorobenzoyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.027725074 u |
| Formula | C12H8ClF3N2O |
| InChI | InChI=1S/C12H8ClF3N2O/c1-7-6-10(12(14,15)16)17-18(7)11(19)8-2-4-9(13)5-3-8/h2-6H,1H3 |
| InChIKey | HNGCBKHDWPUECA-UHFFFAOYSA-N |
| Molecular Weight | 288.657 g/mol |
| SMILES | C1(=NN(C(=C1)C)C(C=1C=CC(=CC1)Cl)=O)C(F)(F)F |