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3-PHENYL-1,3-BIS-[1'-(4''-METHYLPHENYLSULFONYL)-PYRROL-2'-YL]-PROPAN-1-ONE
SpectraBase Compound ID E2w30eohtHR
InChI InChI=1S/C31H28N2O5S2/c1-23-12-16-26(17-13-23)39(35,36)32-20-6-10-29(32)28(25-8-4-3-5-9-25)22-31(34)30-11-7-21-33(30)40(37,38)27-18-14-24(2)15-19-27/h3-21,28H,22H2,1-2H3
InChIKey URAULFKOHKPMMM-UHFFFAOYSA-N
Mol Weight 572.69 g/mol
Molecular Formula C31H28N2O5S2
Exact Mass 572.143964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mIsaI57ZBA
Name 3-PHENYL-1,3-BIS-[1'-(4''-METHYLPHENYLSULFONYL)-PYRROL-2'-YL]-PROPAN-1-ONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28N2O5S2
InChI InChI=1S/C31H28N2O5S2/c1-23-12-16-26(17-13-23)39(35,36)32-20-6-10-29(32)28(25-8-4-3-5-9-25)22-31(34)30-11-7-21-33(30)40(37,38)27-18-14-24(2)15-19-27/h3-21,28H,22H2,1-2H3
InChIKey URAULFKOHKPMMM-UHFFFAOYSA-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 572.694 g/mol
Sample ID 39840
Solvent CDCl3