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(E)-1-[1'-(4''-METHYLPHENYLSULFONYL)-PYRROL-2'-YL]-BUT-2-EN-1-ONE
SpectraBase Compound ID 6FLZG0Owvvu
InChI InChI=1S/C15H15NO3S/c1-3-5-15(17)14-6-4-11-16(14)20(18,19)13-9-7-12(2)8-10-13/h3-11H,1-2H3/b5-3+
InChIKey ORNJKPJKAXBUJX-HWKANZROSA-N
Mol Weight 289.35 g/mol
Molecular Formula C15H15NO3S
Exact Mass 289.077265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3iaencbzaZ
Name (E)-1-[1'-(4''-METHYLPHENYLSULFONYL)-PYRROL-2'-YL]-BUT-2-EN-1-ONE
Compound Number 18A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15NO3S
InChI InChI=1S/C15H15NO3S/c1-3-5-15(17)14-6-4-11-16(14)20(18,19)13-9-7-12(2)8-10-13/h3-11H,1-2H3/b5-3+
InChIKey ORNJKPJKAXBUJX-HWKANZROSA-N
Literature Reference Author C.SONG,D.W.KNIGHT,M.A.WHATTON
Literature Reference Citation ORG.LETTERS,8,163(2006)
Literature Reference DOI 10.1021/ol052683z
Molecular Weight 289.349 g/mol
Sample ID 39838
Solvent CDCl3