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2-METHYL-5-(4'-METHYLPHENYL)-THIO-4-NITROIMIDAZOLE

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2-METHYL-5-(4'-METHYLPHENYL)-THIO-4-NITROIMIDAZOLE
SpectraBase Compound ID 217g65auZKu
InChI InChI=1S/C11H11N3O2S/c1-7-3-5-9(6-4-7)17-11-10(14(15)16)12-8(2)13-11/h3-6H,1-2H3,(H,12,13)
InChIKey NPKUYPNBXTZIPY-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ucQdJNXkq0
Name 2-METHYL-5-(4'-METHYLPHENYL)-THIO-4-NITROIMIDAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-7-3-5-9(6-4-7)17-11-10(14(15)16)12-8(2)13-11/h3-6H,1-2H3,(H,12,13)
InChIKey NPKUYPNBXTZIPY-UHFFFAOYSA-N
Literature Reference Author S.KULKARNI,M.R.GRIMMETT
Literature Reference Citation AUSTR.J.CHEM.,40,1415(1987)
Literature Reference DOI 10.1071/ch9871415
Molecular Weight 249.287 g/mol
Solvent DMSO-D6
Source File Reference UWED6134