| SpectraBase Compound ID | EjsRbUZ0yUu |
|---|---|
| InChI | InChI=1S/C16H11BrF2N2/c1-21-16(11-4-8-13(19)9-5-11)14(17)15(20-21)10-2-6-12(18)7-3-10/h2-9H,1H3 |
| InChIKey | SGGFLLJMHLCEHE-UHFFFAOYSA-N |
| Mol Weight | 349.18 g/mol |
| Molecular Formula | C16H11BrF2N2 |
| Exact Mass | 348.007368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mlOTLDOa2e |
|---|---|
| Name | 4-Bromo-3,5-bis(4-fluorophenyl)-1-methyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.007367688 u |
| Formula | C16H11BrF2N2 |
| InChI | InChI=1S/C16H11BrF2N2/c1-21-16(11-4-8-13(19)9-5-11)14(17)15(20-21)10-2-6-12(18)7-3-10/h2-9H,1H3 |
| InChIKey | SGGFLLJMHLCEHE-UHFFFAOYSA-N |
| Molecular Weight | 349.179 g/mol |
| SMILES | CN1C(=C(Br)C(=N1)C=1C=CC(=CC1)F)C1=CC=C(F)C=C1 |