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(E)-1-[1'-(4''-METHYLPHENYLSULFONYL)-PYRROL-2'-YL]-3-PHENYLPROP-2-EN-1-ONE
SpectraBase Compound ID DzdBxEKaErb
InChI InChI=1S/C20H17NO3S/c1-16-9-12-18(13-10-16)25(23,24)21-15-5-8-19(21)20(22)14-11-17-6-3-2-4-7-17/h2-15H,1H3/b14-11+
InChIKey TXGZTAOQLBYNDZ-SDNWHVSQSA-N
Mol Weight 351.42 g/mol
Molecular Formula C20H17NO3S
Exact Mass 351.092915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VIewJrPXbh
Name (E)-1-[1'-(4''-METHYLPHENYLSULFONYL)-PYRROL-2'-YL]-3-PHENYLPROP-2-EN-1-ONE
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17NO3S
InChI InChI=1S/C20H17NO3S/c1-16-9-12-18(13-10-16)25(23,24)21-15-5-8-19(21)20(22)14-11-17-6-3-2-4-7-17/h2-15H,1H3/b14-11+
InChIKey TXGZTAOQLBYNDZ-SDNWHVSQSA-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 351.420 g/mol
Sample ID 39839
Solvent CDCl3