| SpectraBase Spectrum ID |
45T0F4uSnnR |
| Name |
1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-N-phenylpyrimidine-5-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.117155007 u |
| Formula |
C18H16N4O4 |
| InChI |
InChI=1S/C18H16N4O4/c1-11-15(17(23)20-13-5-3-2-4-6-13)16(21-18(24)19-11)12-7-9-14(10-8-12)22(25)26/h2-10,16H,1H3,(H,20,23)(H2,19,21,24) |
| InChIKey |
DIMRIHQLQXFZIA-UHFFFAOYSA-N |
| Molecular Weight |
352.350 g/mol |
| SMILES |
C1(NC(C(=C(N1)C)C(=O)NC=1C=CC=CC1)C=1C=CC(=CC1)[N+](=O)[O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953325 |
