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1-methyl-2-(methylthio)pyridin-1-ium-3-carboxylic acid methyl ester iodide
SpectraBase Compound ID JSbClvhOsGG
InChI InChI=1S/C9H12NO2S.HI/c1-10-6-4-5-7(8(10)13-3)9(11)12-2;/h4-6H,1-3H3;1H/q+1;/p-1
InChIKey FWJCGEWLIFTAFO-UHFFFAOYSA-M
Mol Weight 325.16 g/mol
Molecular Formula C9H12INO2S
Exact Mass 324.963345 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdyKu58FEhE
Name 1-methyl-2-(methylthio)pyridin-1-ium-3-carboxylic acid methyl ester iodide
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12INO2S
InChI InChI=1S/C9H12NO2S.HI/c1-10-6-4-5-7(8(10)13-3)9(11)12-2;/h4-6H,1-3H3;1H/q+1;/p-1
InChIKey FWJCGEWLIFTAFO-UHFFFAOYSA-M
Literature Reference Author L.STEFANIAK,G.A.WEBB,C.BREVARD,M.BOURDONNEAU,R.LEJEUNE,L.THU NUS,C.L.LAPIERE
Literature Reference Citation MAGN.RES.CHEM.,23,790(1985)
Literature Reference DOI 10.1002/mrc.1260230923
Solvent DMSO
Source File Reference UWRH766