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(1R)-3-Benzyl-1-{(1S)-1-[(tert-Butoxycarbonyl)amino]-2-phenylethyl}but-3-enyl 4-nitrobenzoate
SpectraBase Compound ID 27b5ppPcAOy
InChI InChI=1S/C31H34N2O6/c1-22(19-23-11-7-5-8-12-23)20-28(38-29(34)25-15-17-26(18-16-25)33(36)37)27(21-24-13-9-6-10-14-24)32-30(35)39-31(2,3)4/h5-18,27-28H,1,19-21H2,2-4H3,(H,32,35)/t27-,28+/m0/s1
InChIKey HPPKOKJBBRIYME-WUFINQPMSA-N
Mol Weight 530.6 g/mol
Molecular Formula C31H34N2O6
Exact Mass 530.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGkMOtBPpIX
Name (1R)-3-Benzyl-1-{(1S)-1-[(tert-Butoxycarbonyl)amino]-2-phenylethyl}but-3-enyl 4-nitrobenzoate
Alternate Name(s) (1R)-3-benzyl-1-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-phenylethyl}-3-butenyl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H34N2O6
InChI InChI=1S/C31H34N2O6/c1-22(19-23-11-7-5-8-12-23)20-28(38-29(34)25-15-17-26(18-16-25)33(36)37)27(21-24-13-9-6-10-14-24)32-30(35)39-31(2,3)4/h5-18,27-28H,1,19-21H2,2-4H3,(H,32,35)/t27-,28+/m0/s1
InChIKey HPPKOKJBBRIYME-WUFINQPMSA-N
Molecular Weight 530.621 g/mol
SMILES N([C@]([C@](OC(c1ccc(cc1)N(=O)=O)=O)(CC(=C)Cc1ccccc1)[H])(Cc1ccccc1)[H])C(=O)OC(C)(C)C
SPLASH splash10-0a7i-9040050000-2054ba3c9a12c120917d
Source of Spectrum C5-2003-618-37
Wiley ID 1615503