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(S)-2,2-DIBENZYL-5-[(TERT.-BUTOXYCARBONYL)-AMINO]-6-PHENYL-(E)-3-HEXENOIC-ACID
SpectraBase Compound ID CqONqTrRnGP
InChI InChI=1S/C31H35NO4/c1-30(2,3)36-29(35)32-27(21-24-13-7-4-8-14-24)19-20-31(28(33)34,22-25-15-9-5-10-16-25)23-26-17-11-6-12-18-26/h4-20,27H,21-23H2,1-3H3,(H,32,35)(H,33,34)/b20-19+/t27-/m0/s1
InChIKey KUDHFZJDUPGERB-GRWUHEODSA-N
Mol Weight 485.6 g/mol
Molecular Formula C31H35NO4
Exact Mass 485.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRJldPSpYQG
Name (S)-2,2-DIBENZYL-5-[(TERT.-BUTOXYCARBONYL)-AMINO]-6-PHENYL-(E)-3-HEXENOIC-ACID
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H35NO4
InChI InChI=1S/C31H35NO4/c1-30(2,3)36-29(35)32-27(21-24-13-7-4-8-14-24)19-20-31(28(33)34,22-25-15-9-5-10-16-25)23-26-17-11-6-12-18-26/h4-20,27H,21-23H2,1-3H3,(H,32,35)(H,33,34)/b20-19+/t27-/m0/s1
InChIKey KUDHFZJDUPGERB-GRWUHEODSA-N
Literature Reference Author A.JENMALM,W.BERTS,Y.L.LI,K.LUTHMAN,I.CSOEREGH,U.HACKSELL
Literature Reference Citation J.ORG.CHEM.,59,1139(1994)
Literature Reference DOI 10.1021/jo00084a037
Molecular Weight 485.623 g/mol
Solvent CDCl3:CD3OD=1:1
Source File Reference UWCP1245