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3-[(4-methylphenyl)sulfonylmethyl]thiophene-2-carbonitrile

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3-[(4-methylphenyl)sulfonylmethyl]thiophene-2-carbonitrile
SpectraBase Compound ID 9LmwzVQxgA0
InChI InChI=1S/C13H11NO2S2/c1-10-2-4-12(5-3-10)18(15,16)9-11-6-7-17-13(11)8-14/h2-7H,9H2,1H3
InChIKey NKDDALAUKJVQHY-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C13H11NO2S2
Exact Mass 277.023121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LuD4OMisLHb
Name 3-[(4-methylphenyl)sulfonylmethyl]thiophene-2-carbonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11NO2S2
InChI InChI=1S/C13H11NO2S2/c1-10-2-4-12(5-3-10)18(15,16)9-11-6-7-17-13(11)8-14/h2-7H,9H2,1H3
InChIKey NKDDALAUKJVQHY-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 277.356 g/mol
Source File Reference MHKO11585