| SpectraBase Compound ID | CEnARuF8qJQ |
|---|---|
| InChI | InChI=1S/C17H11F3N2O/c18-17(19,20)15-11-14(12-7-3-1-4-8-12)22(16(23)21-15)13-9-5-2-6-10-13/h1-11H |
| InChIKey | MOVGFNHWOIAEON-UHFFFAOYSA-N |
| Mol Weight | 316.28 g/mol |
| Molecular Formula | C17H11F3N2O |
| Exact Mass | 316.082347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVB90ZiuAs0 |
|---|---|
| Name | 1,6-Diphenyl-4-(trifluoromethyl)pyrimidin-2(1H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.082347470 u |
| Formula | C17H11F3N2O |
| InChI | InChI=1S/C17H11F3N2O/c18-17(19,20)15-11-14(12-7-3-1-4-8-12)22(16(23)21-15)13-9-5-2-6-10-13/h1-11H |
| InChIKey | MOVGFNHWOIAEON-UHFFFAOYSA-N |
| Molecular Weight | 316.283 g/mol |
| SMILES | C1(N=C(C=C(N1C=1C=CC=CC1)C=1C=CC=CC1)C(F)(F)F)=O |