SpectraBase Spectrum ID |
E3Vyezj0vat |
Name |
4-(2-Nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-D]pyridazine-2,5-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
362.101504943 u |
Formula |
C19H14N4O4 |
InChI |
InChI=1S/C19H14N4O4/c24-15-10-13(12-8-4-5-9-14(12)23(26)27)16-18(20-15)17(21-22-19(16)25)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,20,24)(H,22,25) |
InChIKey |
QWSBYVXNUUJPQN-UHFFFAOYSA-N |
Molecular Weight |
362.345 g/mol |
SMILES |
C12=C(C(C3=CC=CC=C3)=NNC1=O)NC(CC2C=1C(N(=O)=O)=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933012 |