| SpectraBase Compound ID | HzAMKb9UCwc |
|---|---|
| InChI | InChI=1S/C22H16F2N2/c23-19-10-6-17(7-11-19)21-14-22(18-8-12-20(24)13-9-18)26(25-21)15-16-4-2-1-3-5-16/h1-14H,15H2 |
| InChIKey | XTWNODWXRFUHBH-UHFFFAOYSA-N |
| Mol Weight | 346.38 g/mol |
| Molecular Formula | C22H16F2N2 |
| Exact Mass | 346.128155 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D2yigzReI36 |
|---|---|
| Name | 1-Benzyl-3,5-bis(4-fluorophenyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.128154849 u |
| Formula | C22H16F2N2 |
| InChI | InChI=1S/C22H16F2N2/c23-19-10-6-17(7-11-19)21-14-22(18-8-12-20(24)13-9-18)26(25-21)15-16-4-2-1-3-5-16/h1-14H,15H2 |
| InChIKey | XTWNODWXRFUHBH-UHFFFAOYSA-N |
| Molecular Weight | 346.381 g/mol |
| SMILES | C1=CC=C(C=C1)CN1N=C(C=2C=CC(=CC2)F)C=C1C1=CC=C(F)C=C1 |