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5-(4-Methylbenzylidene)barbituric acid
SpectraBase Compound ID 3s2PTXahnOl
InChI InChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKey NEWBESJIUIWGMS-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C12H10N2O3
Exact Mass 230.069142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H94RUNXn8hu
Name 5-(4-Methylbenzylidene)barbituric acid
Alternate Name(s) 5-(p-tolylmethylene)hexahydropyrimidine-2,4,6-trione 5-[(4-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O3
InChI InChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKey NEWBESJIUIWGMS-UHFFFAOYSA-N
Molecular Weight 230.223 g/mol
SMILES N1C(NC(C(C1=O)=Cc1ccc(cc1)C)=O)=O
SPLASH splash10-014i-0690000000-5945fa00f69ba05afb65
Source of Spectrum SK-30-1298-3
Wiley ID 881206