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1-methyl-2-thioxo-nicotinic acid methyl ester
SpectraBase Compound ID 8rkd8PB39ps
InChI InChI=1S/C8H9NO2S/c1-9-5-3-4-6(7(9)12)8(10)11-2/h3-5H,1-2H3
InChIKey NGBUKNMIVNXZPV-UHFFFAOYSA-N
Mol Weight 183.22 g/mol
Molecular Formula C8H9NO2S
Exact Mass 183.0354 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7kpxTOqU6I
Name 1-methyl-2-thioxo-nicotinic acid methyl ester
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9NO2S
InChI InChI=1S/C8H9NO2S/c1-9-5-3-4-6(7(9)12)8(10)11-2/h3-5H,1-2H3
InChIKey NGBUKNMIVNXZPV-UHFFFAOYSA-N
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 CH3OH
Source File Reference UWRH764