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5-(2-Chlorobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID L9uOAQWD2pB
InChI InChI=1S/C11H7ClN2O3/c12-8-4-2-1-3-6(8)5-7-9(15)13-11(17)14-10(7)16/h1-5H,(H2,13,14,15,16,17)
InChIKey FMAIJMYTMYNJHJ-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 7pdGvj9G8Vm
Name 5-(2-Chlorobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Alternate Name(s) 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]- 5-(2-Chlorobenzylidene)barbituric acid 5-(2-Chlorobenzylidene)hexahydropyrimidine-2,4,6-trione 5-[(2-chlorophenyl)methylene]hexahydropyrimidine-2,4,6-trione 5-[(2-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CAS Registry Number 57270-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7ClN2O3
InChI InChI=1S/C11H7ClN2O3/c12-8-4-2-1-3-6(8)5-7-9(15)13-11(17)14-10(7)16/h1-5H,(H2,13,14,15,16,17)
InChIKey FMAIJMYTMYNJHJ-UHFFFAOYSA-N
Molecular Weight 250.641 g/mol
SMILES N1C(NC(C(C1=O)=Cc1c(Cl)cccc1)=O)=O
SPLASH splash10-01b9-0960000000-b695cd58aa7b29c5640c
Source of Spectrum SK-30-1298-3
Wiley ID 881208