| SpectraBase Spectrum ID |
24sUGGhiQH6 |
| Name |
2,4,6(1H,3H,5H)-Pyrimidintrione, 1,3-diphenyl-5-(4-dimethylamino-5-nitrophenyl-methylene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.143369755 u |
| Formula |
C25H20N4O5 |
| InChI |
InChI=1S/C25H20N4O5/c1-26(2)21-14-13-17(16-22(21)29(33)34)15-20-23(30)27(18-9-5-3-6-10-18)25(32)28(24(20)31)19-11-7-4-8-12-19/h3-16H,1-2H3 |
| InChIKey |
RGZZIQJMPLTAOR-UHFFFAOYSA-N |
| Molecular Weight |
456.458 g/mol |
| SMILES |
C1(N(C(N(C(C1=CC1=CC(=C(C=C1)N(C)C)N(=O)=O)=O)C1=CC=CC=C1)=O)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957982 |
