| SpectraBase Spectrum ID |
v9jQy46zPN |
| Name |
4-(4-Fluorophenyl)-1,6-dimethyl-2-oxo-N-phenyl-3,4-dihydropyrimidine-5-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.138304993 u |
| Formula |
C19H18FN3O2 |
| InChI |
InChI=1S/C19H18FN3O2/c1-12-16(18(24)21-15-6-4-3-5-7-15)17(22-19(25)23(12)2)13-8-10-14(20)11-9-13/h3-11,17H,1-2H3,(H,21,24)(H,22,25) |
| InChIKey |
XJKPDMXLEJSDIT-UHFFFAOYSA-N |
| Molecular Weight |
339.370 g/mol |
| SMILES |
C1=CC=C(C=C1)NC(C=1C(NC(N(C1C)C)=O)C1=CC=C(C=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826282 |
