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METHYL-(2R,5S)-2-BENZYL-5-[(TERT.-BUTOXYCARBONYL)-AMINO]-6-PHENYL-(E)-3-HEXENOATE
SpectraBase Compound ID FnXNBZaSPCc
InChI InChI=1S/C25H31NO4/c1-25(2,3)30-24(28)26-22(18-20-13-9-6-10-14-20)16-15-21(23(27)29-4)17-19-11-7-5-8-12-19/h5-16,21-22H,17-18H2,1-4H3,(H,26,28)/b16-15+/t21-,22+/m1/s1
InChIKey IYZQZUDTHASFOG-ZUMAOHNSSA-N
Mol Weight 409.53 g/mol
Molecular Formula C25H31NO4
Exact Mass 409.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29IHC8HjSDs
Name METHYL-(2R,5S)-2-BENZYL-5-[(TERT.-BUTOXYCARBONYL)-AMINO]-6-PHENYL-(E)-3-HEXENOATE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31NO4
InChI InChI=1S/C25H31NO4/c1-25(2,3)30-24(28)26-22(18-20-13-9-6-10-14-20)16-15-21(23(27)29-4)17-19-11-7-5-8-12-19/h5-16,21-22H,17-18H2,1-4H3,(H,26,28)/b16-15+/t21-,22+/m1/s1
InChIKey IYZQZUDTHASFOG-ZUMAOHNSSA-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 409.525 g/mol
Solvent CDCl3
Source File Reference UWCP1239