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(2R,3R,SS)-4-METHYLENE-1-(TOLUENE-4-SULFINYL)-2-(4-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC-ACID-DIPHENYLAMIDE
SpectraBase Compound ID Cr4bQeIIEuJ
InChI InChI=1S/C32H27F3N2O2S/c1-22-13-19-28(20-14-22)40(39)36-21-23(2)29(30(36)24-15-17-25(18-16-24)32(33,34)35)31(38)37(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-20,29-30H,2,21H2,1H3/t29-,30+,40?/m1/s1
InChIKey HLWGXONDHCZFSG-HMRFYLJESA-N
Mol Weight 560.6 g/mol
Molecular Formula C32H27F3N2O2S
Exact Mass 560.174534 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DubeCqxVox3
Name (2R,3R,SS)-4-METHYLENE-1-(TOLUENE-4-SULFINYL)-2-(4-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC-ACID-DIPHENYLAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H27F3N2O2S
InChI InChI=1S/C32H27F3N2O2S/c1-22-13-19-28(20-14-22)40(39)36-21-23(2)29(30(36)24-15-17-25(18-16-24)32(33,34)35)31(38)37(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-20,29-30H,2,21H2,1H3/t29-,30+,40?/m1/s1
InChIKey HLWGXONDHCZFSG-HMRFYLJESA-N
Literature Reference Author M.E.SCOTT,W.HAN,M.LAUTENS
Literature Reference Citation ORG.LETTERS,6,3309(2004)
Literature Reference DOI 10.1021/ol048769u
Molecular Weight 560.634 g/mol
Sample ID 50997
Solvent CDCl3