| SpectraBase Compound ID | DS2caDHknSI |
|---|---|
| InChI | InChI=1S/C19H11F3N2/c20-19(21,22)16-11-17(13-7-3-1-4-8-13)24-18(15(16)12-23)14-9-5-2-6-10-14/h1-11H |
| InChIKey | PUYCEIQXEXSKNR-UHFFFAOYSA-N |
| Mol Weight | 324.31 g/mol |
| Molecular Formula | C19H11F3N2 |
| Exact Mass | 324.087433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7O6osoXt6fN |
|---|---|
| Name | 2,6-Diphenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.087432851 u |
| Formula | C19H11F3N2 |
| InChI | InChI=1S/C19H11F3N2/c20-19(21,22)16-11-17(13-7-3-1-4-8-13)24-18(15(16)12-23)14-9-5-2-6-10-14/h1-11H |
| InChIKey | PUYCEIQXEXSKNR-UHFFFAOYSA-N |
| Molecular Weight | 324.306 g/mol |
| SMILES | C1(=C(C(F)(F)F)C=C(N=C1C=1C=CC=CC1)C1=CC=CC=C1)C#N |