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5-(4-Chlorobenzylidene)barbituric acid

View entire compound with spectra: 1 MS (GC)

5-(4-Chlorobenzylidene)barbituric acid
SpectraBase Compound ID 4usV50DAvIT
InChI InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
InChIKey BGDCXSLVGJREMP-UHFFFAOYSA-N
Mol Weight 250.64 g/mol
Molecular Formula C11H7ClN2O3
Exact Mass 250.01452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQvyOzvXFzP
Name 5-(4-Chlorobenzylidene)barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7ClN2O3
InChI InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
InChIKey BGDCXSLVGJREMP-UHFFFAOYSA-N
Molecular Weight 250.641 g/mol
SMILES N1C(NC(C(C1=O)=Cc1ccc(cc1)Cl)=O)=O
SPLASH splash10-0udj-0290000000-dc3b35701a73322781fd
Source of Spectrum SK-30-1299-3
Synonyms 5-[(4-chlorophenyl)methylene]hexahydropyrimidine-2,4,6-trione 5-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Wiley ID 881203