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2-Mercapto-4-oxo-3,4-dihydro-pteridinate anion

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2-Mercapto-4-oxo-3,4-dihydro-pteridinate anion
SpectraBase Compound ID ETTE2NsCo4J
InChI InChI=1S/C6H4N4OS/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)/p-1
InChIKey VSPCYUNOZPCHLL-UHFFFAOYSA-M
Mol Weight 179.18 g/mol
Molecular Formula C6H3N4OS
Exact Mass 179.002757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfXy3xgjcWx
Name 2-Mercapto-4-oxo-3,4-dihydro-pteridinate anion
Comments 3 N NAOH
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Formula C6H3N4OS
InChI InChI=1S/C6H4N4OS/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)/p-1
InChIKey VSPCYUNOZPCHLL-UHFFFAOYSA-M
Instrument Name Bruker HX-90
Literature Reference U. Ewers, H. Guenther, Chem. Ber. 106, 3951 (1973).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O