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

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-METHYL-5-(4'-METHYLPHENYL)-THIO-4-NITROIMIDAZOLE
SpectraBase Compound ID Bb5UaUe8ZfP
InChI InChI=1S/C11H11N3O2S/c1-8-3-5-9(6-4-8)17-11-10(14(15)16)12-7-13(11)2/h3-7H,1-2H3
InChIKey XGLPUNTVRWMETB-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 2wSOEHqf0eZ
Name 1-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/c1-8-3-5-9(6-4-8)17-11-10(14(15)16)12-7-13(11)2/h3-7H,1-2H3
InChIKey XGLPUNTVRWMETB-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 UWED6130