4-(2,4-Dinitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-D]pyridazine-2,5-dione

SpectraBase Compound ID	1gTE61bw4dl
InChI	InChI=1S/C19H13N5O6/c25-15-9-13(12-7-6-11(23(27)28)8-14(12)24(29)30)16-18(20-15)17(21-22-19(16)26)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,20,25)(H,22,26)
InChIKey	QDSUCWMGXGHMSK-UHFFFAOYSA-N Google Search
Mol Weight	407.34 g/mol
Molecular Formula	C19H13N5O6
Exact Mass	407.086583 g/mol

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SpectraBase Spectrum ID	MNSOZMVIaZ
Name	4-(2,4-Dinitrophenyl)-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	407.086583153 u
Formula	C19H13N5O6
InChI	InChI=1S/C19H13N5O6/c25-15-9-13(12-7-6-11(23(27)28)8-14(12)24(29)30)16-18(20-15)17(21-22-19(16)26)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,20,25)(H,22,26)
InChIKey	QDSUCWMGXGHMSK-UHFFFAOYSA-N
Molecular Weight	407.342 g/mol
SMILES	C12=C(C(C=3C=CC=CC3)=NNC1=O)NC(CC2C=1C(N(=O)=O)=CC(N(=O)=O)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.910176