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#-(4S)-31-(R)-MOSHER-AMIDE;(4S,2'S,2''R)-1,3-DI-N-BENZYL-4-[2'-METHOXYCARBONYL-2'-(3'',3'',3''-TRIFLUORO-2''-METHOXY-2''-PHENYL-PROPIONYLAMINO)-ETHYL]-6-METHYL-2-OXO
SpectraBase Compound ID CYto3F2qRTa
InChI InChI=1S/C36H38F3N3O7/c1-5-49-32(44)30-24(2)41(22-25-15-9-6-10-16-25)34(46)42(23-26-17-11-7-12-18-26)29(30)21-28(31(43)47-3)40-33(45)35(48-4,36(37,38)39)27-19-13-8-14-20-27/h6-20,28-29H,5,21-23H2,1-4H3,(H,40,45)/t28-,29-,35+/m0/s1
InChIKey GUFPWNIZLGAPJK-AZRGUZCDSA-N
Mol Weight 681.7 g/mol
Molecular Formula C36H38F3N3O7
Exact Mass 681.266185 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1yEPP3nzBR
Name #-(4S)-31-(R)-MOSHER-AMIDE;(4S,2'S,2''R)-1,3-DI-N-BENZYL-4-[2'-METHOXYCARBONYL-2'-(3'',3'',3''-TRIFLUORO-2''-METHOXY-2''-PHENYL-PROPIONYLAMINO)-ETHYL]-6-METHYL-2-OXO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H38F3N3O7
InChI InChI=1S/C36H38F3N3O7/c1-5-49-32(44)30-24(2)41(22-25-15-9-6-10-16-25)34(46)42(23-26-17-11-7-12-18-26)29(30)21-28(31(43)47-3)40-33(45)35(48-4,36(37,38)39)27-19-13-8-14-20-27/h6-20,28-29H,5,21-23H2,1-4H3,(H,40,45)/t28-,29-,35+/m0/s1
InChIKey GUFPWNIZLGAPJK-AZRGUZCDSA-N
Literature Reference Author A.DONDONI,A.MASSI,E.MINGHINI,S.SABBATINI,V.BERTOLASI
Literature Reference Citation J.ORG.CHEM.,68,6172(2003)
Literature Reference DOI 10.1021/jo0342830
Solvent CDCl3
Source File Reference UWVN20796