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TRANS-4,5-DIHYDRO-4,5-DIMETHYL-1-(4'-METHYLPHENYLSULFONYL)-2-PHENYL-CYCLOPENTA-[B]-PYRROL-6(1H)-ONE
SpectraBase Compound ID 85Uq7awIscY
InChI InChI=1S/C22H21NO3S/c1-14-9-11-18(12-10-14)27(25,26)23-20(17-7-5-4-6-8-17)13-19-15(2)16(3)22(24)21(19)23/h4-13,15-16H,1-3H3/t15-,16-/m0/s1
InChIKey XCZUZXPVGMDCHU-HOTGVXAUSA-N
Mol Weight 379.47 g/mol
Molecular Formula C22H21NO3S
Exact Mass 379.124215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrAOCplkb1v
Name TRANS-4,5-DIHYDRO-4,5-DIMETHYL-1-(4'-METHYLPHENYLSULFONYL)-2-PHENYL-CYCLOPENTA-[B]-PYRROL-6(1H)-ONE
Compound Number 24B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21NO3S
InChI InChI=1S/C22H21NO3S/c1-14-9-11-18(12-10-14)27(25,26)23-20(17-7-5-4-6-8-17)13-19-15(2)16(3)22(24)21(19)23/h4-13,15-16H,1-3H3/t15-,16-/m0/s1
InChIKey XCZUZXPVGMDCHU-HOTGVXAUSA-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 379.474 g/mol
Sample ID 39850
Solvent CDCl3