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5-(4-iodobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID BxRPpQNStxn
InChI InChI=1S/C11H7IN2O2S/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 SLXOLWZPBULPJN-UHFFFAOYSA-N
Mol Weight 358.15 g/mol
Molecular Formula C11H7IN2O2S
Exact Mass 357.927294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dge9CLVIm
Name 5-(4-iodobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[(4-iodophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
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Formula C11H7IN2O2S
InChI InChI=1S/C11H7IN2O2S/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 SLXOLWZPBULPJN-UHFFFAOYSA-N
Molecular Weight 358.153 g/mol
SMILES N1C(NC(C(C1=O)=Cc1ccc(cc1)I)=O)=S
SPLASH splash10-0fb9-0920000000-e35cb7517751cf710d55
Source of Spectrum HC-20-799-0
Wiley ID 1346682