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5-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-benzylidene]barbituric acid
SpectraBase Compound ID BfF5l6a8J4N
InChI InChI=1S/C22H21BrN2O6/c1-12-4-5-15(8-13(12)2)30-6-7-31-19-17(23)10-14(11-18(19)29-3)9-16-20(26)24-22(28)25-21(16)27/h4-5,8-11H,6-7H2,1-3H3,(H2,24,25,26,27,28)
InChIKey BVVCXVNXZFASBK-UHFFFAOYSA-N
Mol Weight 489.32 g/mol
Molecular Formula C22H21BrN2O6
Exact Mass 488.058299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VHzGiflFsi
Name 5-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-benzylidene]barbituric acid
Alternate Name(s) 5-[[3-bromanyl-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-phenyl]methylidene]-1,3-diazinane-2,4,6-trione 5-[[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-phenyl]methylene]hexahydropyrimidine-2,4,6-trione 5-[[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
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Formula C22H21BrN2O6
InChI InChI=1S/C22H21BrN2O6/c1-12-4-5-15(8-13(12)2)30-6-7-31-19-17(23)10-14(11-18(19)29-3)9-16-20(26)24-22(28)25-21(16)27/h4-5,8-11H,6-7H2,1-3H3,(H2,24,25,26,27,28)
InChIKey BVVCXVNXZFASBK-UHFFFAOYSA-N
Molecular Weight 489.322 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Br)c(c(c1)OC)OCCOc1cc(C)c(cc1)C)=O)=O
SPLASH splash10-0075-2901400000-4735edce3891017bb668
Wiley ID 1436554