(5Z)-1-(4-methylphenyl)-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

SpectraBase Compound ID	IbwFDyfYfLi
InChI	InChI=1S/C26H22N2O5/c1-18-7-11-20(12-8-18)28-25(30)23(24(29)27-26(28)31)17-19-9-13-22(14-10-19)33-16-15-32-21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,27,29,31)/b23-17-
InChIKey	CUSWPAPVSOHGOS-QJOMJCCJSA-N Google Search
Mol Weight	442.47 g/mol
Molecular Formula	C26H22N2O5
Exact Mass	442.152872 g/mol

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SpectraBase Spectrum ID	GPLXXC4h4D4
Name	(5Z)-1-(4-Methylphenyl)-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	442.152871811 u
Formula	C26H22N2O5
InChI	InChI=1S/C26H22N2O5/c1-18-7-11-20(12-8-18)28-25(30)23(24(29)27-26(28)31)17-19-9-13-22(14-10-19)33-16-15-32-21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,27,29,31)/b23-17-
InChIKey	CUSWPAPVSOHGOS-QJOMJCCJSA-N
Molecular Weight	442.471 g/mol
SMILES	C1=CC=C(OCCOC=2C=CC(\C=C/3C(N(C(NC3=O)=O)C3=CC=C(C=C3)C)=O)=CC2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.907118