5,5-bis[4-(Dimethylamino)benzyl]barbituric acid

SpectraBase Compound ID	1uQCiDAQtqN
InChI	InChI=1S/C22H26N4O3/c1-25(2)17-9-5-15(6-10-17)13-22(19(27)23-21(29)24-20(22)28)14-16-7-11-18(12-8-16)26(3)4/h5-12H,13-14H2,1-4H3,(H2,23,24,27,28,29)
InChIKey	FIZNQJNNOYRRDE-UHFFFAOYSA-N Google Search
Mol Weight	394.48 g/mol
Molecular Formula	C22H26N4O3
Exact Mass	394.200491 g/mol

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SpectraBase Spectrum ID	H5YUrlXl2t8
Name	5,5-bis[4-(Dimethylamino)benzyl]barbituric acid
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	394.200490710 u
Formula	C22H26N4O3
InChI	InChI=1S/C22H26N4O3/c1-25(2)17-9-5-15(6-10-17)13-22(19(27)23-21(29)24-20(22)28)14-16-7-11-18(12-8-16)26(3)4/h5-12H,13-14H2,1-4H3,(H2,23,24,27,28,29)
InChIKey	FIZNQJNNOYRRDE-UHFFFAOYSA-N
Molecular Weight	394.475 g/mol
SMILES	C1(C(NC(NC1=O)=O)=O)(CC=1C=CC(=CC1)N(C)C)CC1=CC=C(C=C1)N(C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.891091