| SpectraBase Compound ID | AhFAYtWPeIJ |
|---|---|
| InChI | InChI=1S/C16H12BrFN2/c1-11-15(18)16(12-7-9-13(17)10-8-12)20(19-11)14-5-3-2-4-6-14/h2-10H,1H3 |
| InChIKey | OCMQBKJYMZFNTN-UHFFFAOYSA-N |
| Mol Weight | 331.19 g/mol |
| Molecular Formula | C16H12BrFN2 |
| Exact Mass | 330.01679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | If88z90GDP1 |
|---|---|
| Name | 5-(4-Bromophenyl)-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 | 330.016789557 u |
| Formula | C16H12BrFN2 |
| InChI | InChI=1S/C16H12BrFN2/c1-11-15(18)16(12-7-9-13(17)10-8-12)20(19-11)14-5-3-2-4-6-14/h2-10H,1H3 |
| InChIKey | OCMQBKJYMZFNTN-UHFFFAOYSA-N |
| Molecular Weight | 331.188 g/mol |
| SMILES | C1(=C(C2=CC=C(C=C2)Br)N(C=2C=CC=CC2)N=C1C)F |