| SpectraBase Spectrum ID |
HvQ0JIc6Zmr |
| Name |
4-(4-Fluorophenyl)-1-methyl-6-(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 |
272.057275537 u |
| Formula |
C12H8F4N2O |
| InChI |
InChI=1S/C12H8F4N2O/c1-18-10(12(14,15)16)6-9(17-11(18)19)7-2-4-8(13)5-3-7/h2-6H,1H3 |
| InChIKey |
NBQCYWKNIABTIU-UHFFFAOYSA-N |
| Molecular Weight |
272.203 g/mol |
| SMILES |
C1(N=C(C=C(N1C)C(F)(F)F)C=1C=CC(=CC1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853007 |
