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5-(3-hydroxybenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 2CVvXVPXoIO
InChI InChI=1S/C11H8N2O3S/c14-7-3-1-2-6(4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17)
InChIKey QRIIWMGAKUQMPQ-UHFFFAOYSA-N
Mol Weight 248.26 g/mol
Molecular Formula C11H8N2O3S
Exact Mass 248.025563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDN6hCOG3H2
Name 5-(3-hydroxybenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[(3-hydroxyphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
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Formula C11H8N2O3S
InChI InChI=1S/C11H8N2O3S/c14-7-3-1-2-6(4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17)
InChIKey QRIIWMGAKUQMPQ-UHFFFAOYSA-N
Molecular Weight 248.256 g/mol
SMILES N1C(NC(C(=Cc2cc(ccc2)O)C1=O)=O)=S
SPLASH splash10-0mi2-9520000000-a7f78e16d99a53a3dc0b
Wiley ID 1510968