| SpectraBase Compound ID | 2P1czIh6aDK |
|---|---|
| InChI | InChI=1S/C16H12ClFN2/c1-11-15(18)16(13-9-5-6-10-14(13)17)20(19-11)12-7-3-2-4-8-12/h2-10H,1H3 |
| InChIKey | PKOFHIGOLWLKFJ-UHFFFAOYSA-N |
| Mol Weight | 286.74 g/mol |
| Molecular Formula | C16H12ClFN2 |
| Exact Mass | 286.067304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYQQXPghWhE |
|---|---|
| Name | 5-(2-Chlorophenyl)-4-fluoro-3-methyl-1-phenyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.067304257 u |
| Formula | C16H12ClFN2 |
| InChI | InChI=1S/C16H12ClFN2/c1-11-15(18)16(13-9-5-6-10-14(13)17)20(19-11)12-7-3-2-4-8-12/h2-10H,1H3 |
| InChIKey | PKOFHIGOLWLKFJ-UHFFFAOYSA-N |
| Molecular Weight | 286.737 g/mol |
| SMILES | C1(=C(C2=CC=CC=C2Cl)N(C=2C=CC=CC2)N=C1C)F |