| SpectraBase Compound ID | FbZMirpXz04 |
|---|---|
| InChI | InChI=1S/C17H13F3N2/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)22(21-15)14-5-3-2-4-6-14/h2-11H,1H3 |
| InChIKey | BQBHGSCMSPOKTK-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 | 8ePR0wJXxU9 |
|---|---|
| Name | 1-Phenyl-3-(p-tolyl)-5-(trifluoromethyl)-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/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)22(21-15)14-5-3-2-4-6-14/h2-11H,1H3 |
| InChIKey | BQBHGSCMSPOKTK-UHFFFAOYSA-N |
| Molecular Weight | 302.300 g/mol |
| SMILES | C1(=NN(C(=C1)C(F)(F)F)C=1C=CC=CC1)C=1C=CC(=CC1)C |