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5-(3-bromobenzylidene)barbituric acid
SpectraBase Compound ID FEygcphxYQR
InChI InChI=1S/C11H7BrN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
InChIKey VRLYMEBBBXWLQN-UHFFFAOYSA-N
Mol Weight 295.09 g/mol
Molecular Formula C11H7BrN2O3
Exact Mass 293.964005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ynl5LU6GHh
Name 5-(3-bromobenzylidene)barbituric acid
Alternate Name(s) 5-[(3-bromophenyl)methylene]hexahydropyrimidine-2,4,6-trione 5-[(3-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
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Formula C11H7BrN2O3
InChI InChI=1S/C11H7BrN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
InChIKey VRLYMEBBBXWLQN-UHFFFAOYSA-N
Molecular Weight 295.092 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Br)ccc1)=O)=O
SPLASH splash10-0hk9-1960000000-6f7b3eab3405d66a9462
Source of Spectrum HC-20-797-0
Wiley ID 1296706