| SpectraBase Compound ID | BjpQBueM8OM |
|---|---|
| InChI | InChI=1S/C17H13F3N2/c18-17(19,20)12-22-16(14-9-5-2-6-10-14)11-15(21-22)13-7-3-1-4-8-13/h1-11H,12H2 |
| InChIKey | NNYSWUGCOYLPIM-UHFFFAOYSA-N |
| Mol Weight | 302.3 g/mol |
| Molecular Formula | C17H13F3N2 |
| Exact Mass | 302.103083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20Wo42pkh8c |
|---|---|
| Name | 3,5-Diphenyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.103082916 u |
| Formula | C17H13F3N2 |
| InChI | InChI=1S/C17H13F3N2/c18-17(19,20)12-22-16(14-9-5-2-6-10-14)11-15(21-22)13-7-3-1-4-8-13/h1-11H,12H2 |
| InChIKey | NNYSWUGCOYLPIM-UHFFFAOYSA-N |
| Molecular Weight | 302.300 g/mol |
| SMILES | C1(=NN(C(=C1)C1=CC=CC=C1)CC(F)(F)F)C=1C=CC=CC1 |