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2-(2-Methoxy-4-methylsulfinyl-phenyl)-1H-imidazo (4,5-C)pyridazinium cation

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2-(2-Methoxy-4-methylsulfinyl-phenyl)-1H-imidazo (4,5-C)pyridazinium cation
SpectraBase Compound ID BfCEPToahkR
InChI InChI=1S/C13H12N4O2S/c1-19-11-7-8(20(2)18)3-4-9(11)12-15-10-5-6-14-17-13(10)16-12/h3-7H,1-2H3,(H,15,16,17)/p+1
InChIKey OGNUMJQMWMMEQO-UHFFFAOYSA-O
Mol Weight 289.33 g/mol
Molecular Formula C13H13N4O2S
Exact Mass 289.075922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKMaxDUIC9G
Name 2-(2-Methoxy-4-methylsulfinyl-phenyl)-1H-imidazo (4,5-C)pyridazinium cation
Comments hydrochloride
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Formula C13H13N4O2S
InChI InChI=1S/C13H12N4O2S/c1-19-11-7-8(20(2)18)3-4-9(11)12-15-10-5-6-14-17-13(10)16-12/h3-7H,1-2H3,(H,15,16,17)/p+1
InChIKey OGNUMJQMWMMEQO-UHFFFAOYSA-O
Literature Reference P. Barraclough, D. Firmin, J.C. Lindon, J. Chem. Soc. Perkin II 1839 (1988).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O