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8-(2-Methoxy-4-methylsulfinyl-phenyl)-7H-puriniu M cation
SpectraBase Compound ID FJU6a24yAiq
InChI InChI=1S/C13H12N4O2S/c1-19-11-5-8(20(2)18)3-4-9(11)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17)/p+1
InChIKey VCYCFRKSFAXXOL-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 uBw336svOV
Name 8-(2-Methoxy-4-methylsulfinyl-phenyl)-7H-puriniu M cation
Comments hydrochloride
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Formula C13H13N4O2S
InChI InChI=1S/C13H12N4O2S/c1-19-11-5-8(20(2)18)3-4-9(11)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17)/p+1
InChIKey VCYCFRKSFAXXOL-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