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

View entire compound with spectra: 1 NMR

2-(2-Methoxy-4-methylsulfinyl-phenyl)-1H-imidazo (4,5-D)pyridazinium cation
SpectraBase Compound ID IuXigNffZjX
InChI InChI=1S/C13H12N4O2S/c1-19-12-5-8(20(2)18)3-4-9(12)13-16-10-6-14-15-7-11(10)17-13/h3-7H,1-2H3,(H,16,17)/p+1
InChIKey KCJCLLQBXDFUKX-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 6A2LDfQXlNk
Name 2-(2-Methoxy-4-methylsulfinyl-phenyl)-1H-imidazo (4,5-D)pyridazinium cation
Comments hydrochloride
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Formula C13H13N4O2S
InChI InChI=1S/C13H12N4O2S/c1-19-12-5-8(20(2)18)3-4-9(12)13-16-10-6-14-15-7-11(10)17-13/h3-7H,1-2H3,(H,16,17)/p+1
InChIKey KCJCLLQBXDFUKX-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