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

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1-METHYL-4-(4'-METHYLPHENYL)-SULFONYL-5-NITROIMIDAZOLE
SpectraBase Compound ID FFESoGA9eGm
InChI InChI=1S/C11H11N3O4S/c1-8-3-5-9(6-4-8)19(17,18)10-11(14(15)16)13(2)7-12-10/h3-7H,1-2H3
InChIKey HDXIWDGBSLFXAM-UHFFFAOYSA-N
Mol Weight 281.29 g/mol
Molecular Formula C11H11N3O4S
Exact Mass 281.047027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBAGNfZeEOQ
Name 1-METHYL-4-(4'-METHYLPHENYL)-SULFONYL-5-NITROIMIDAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11N3O4S
InChI InChI=1S/C11H11N3O4S/c1-8-3-5-9(6-4-8)19(17,18)10-11(14(15)16)13(2)7-12-10/h3-7H,1-2H3
InChIKey HDXIWDGBSLFXAM-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 281.286 g/mol
Solvent DMSO-D6
Source File Reference UWED6140