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(2S,4R)-1-[(S)-1-Benzylamino-2-phenethyl]-2-tert-butoxycarbonyl-4-cyano-4-methylpyrrolidine

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(2S,4R)-1-[(S)-1-Benzylamino-2-phenethyl]-2-tert-butoxycarbonyl-4-cyano-4-methylpyrrolidine
SpectraBase Compound ID E8DGFSuJjVo
InChI InChI=1S/C26H33N3O2/c1-25(2,3)31-24(30)22-16-26(4,18-27)19-29(22)23(15-20-11-7-5-8-12-20)28-17-21-13-9-6-10-14-21/h5-14,22-23,28H,15-17,19H2,1-4H3/t22-,23-,26-/m0/s1
InChIKey YRPBLJWCZBNIQO-FXSPECFOSA-N
Mol Weight 419.6 g/mol
Molecular Formula C26H33N3O2
Exact Mass 419.257277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 668gvdYHIks
Name (2S,4R)-1-[(S)-1-Benzylamino-2-phenethyl]-2-tert-butoxycarbonyl-4-cyano-4-methylpyrrolidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.257277313 u
Formula C26H33N3O2
InChI InChI=1S/C26H33N3O2/c1-25(2,3)31-24(30)22-16-26(4,18-27)19-29(22)23(15-20-11-7-5-8-12-20)28-17-21-13-9-6-10-14-21/h5-14,22-23,28H,15-17,19H2,1-4H3/t22-,23-,26-/m0/s1
InChIKey YRPBLJWCZBNIQO-FXSPECFOSA-N
Molecular Weight 419.569 g/mol
SMILES [C@]1(N(C[C@@](C1)(C#N)C)[C@](NCC1=CC=CC=C1)(CC=1C=CC=CC1)[H])(C(OC(C)(C)C)=O)[H]