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5-(2-nitrobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID CDTwUuWFWkJ
InChI InChI=1S/C11H7N3O4S/c15-9-7(10(16)13-11(19)12-9)5-6-3-1-2-4-8(6)14(17)18/h1-5H,(H2,12,13,15,16,19)
InChIKey BKJTZBOKFVHOKF-UHFFFAOYSA-N
Mol Weight 277.25 g/mol
Molecular Formula C11H7N3O4S
Exact Mass 277.015727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFvpu2h2LTg
Name 5-(2-nitrobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[(2-nitrophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
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Formula C11H7N3O4S
InChI InChI=1S/C11H7N3O4S/c15-9-7(10(16)13-11(19)12-9)5-6-3-1-2-4-8(6)14(17)18/h1-5H,(H2,12,13,15,16,19)
InChIKey BKJTZBOKFVHOKF-UHFFFAOYSA-N
Molecular Weight 277.254 g/mol
SMILES N1C(NC(C(C1=O)=Cc1c(N(=O)=O)cccc1)=O)=S
SPLASH splash10-001l-1960000000-2f75884e3da7805d0fea
Source of Spectrum HC-20-799-0
Wiley ID 1280774