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5-METHYLSULFONYL-4-NITROIMIDAZOLE

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5-METHYLSULFONYL-4-NITROIMIDAZOLE
SpectraBase Compound ID IThKo8nE46z
InChI InChI=1S/C4H5N3O4S/c1-12(10,11)4-3(7(8)9)5-2-6-4/h2H,1H3,(H,5,6)
InChIKey AGOXDXWPTKSCRO-UHFFFAOYSA-N
Mol Weight 191.16 g/mol
Molecular Formula C4H5N3O4S
Exact Mass 191.000077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xWWjzldcHA
Name 5-METHYLSULFONYL-4-NITROIMIDAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H5N3O4S
InChI InChI=1S/C4H5N3O4S/c1-12(10,11)4-3(7(8)9)5-2-6-4/h2H,1H3,(H,5,6)
InChIKey AGOXDXWPTKSCRO-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 191.161 g/mol
Solvent DMSO-D6
Source File Reference UWED6123