| SpectraBase Spectrum ID |
5pmrkhZdfnE |
| Name |
6-(4-Fluorophenyl)-1-phenyl-4-(trifluoromethyl)pyrimidin-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.072925601 u |
| Formula |
C17H10F4N2O |
| InChI |
InChI=1S/C17H10F4N2O/c18-12-8-6-11(7-9-12)14-10-15(17(19,20)21)22-16(24)23(14)13-4-2-1-3-5-13/h1-10H |
| InChIKey |
KRHOYSBVYYWJMB-UHFFFAOYSA-N |
| Molecular Weight |
334.274 g/mol |
| SMILES |
C1(N=C(C=C(N1C=1C=CC=CC1)C=1C=CC(=CC1)F)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851628 |
