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(+)-(4S,5R)-1-benzyl-4-benzyloxy-5-butyl-2-pyrrolidinone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(+)-(4S,5R)-1-benzyl-4-benzyloxy-5-butyl-2-pyrrolidinone
SpectraBase Compound ID IfiUGjxp6Om
InChI InChI=1S/C22H27NO2/c1-2-3-14-20-21(25-17-19-12-8-5-9-13-19)15-22(24)23(20)16-18-10-6-4-7-11-18/h4-13,20-21H,2-3,14-17H2,1H3/t20-,21+/m1/s1
InChIKey SYEBUPLCXLAGTG-RTWAWAEBSA-N
Mol Weight 337.46 g/mol
Molecular Formula C22H27NO2
Exact Mass 337.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJcUpPxoSCI
Name (+)-(4S,5R)-1-benzyl-4-benzyloxy-5-butyl-2-pyrrolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.204179111 u
Formula C22H27NO2
InChI InChI=1S/C22H27NO2/c1-2-3-14-20-21(25-17-19-12-8-5-9-13-19)15-22(24)23(20)16-18-10-6-4-7-11-18/h4-13,20-21H,2-3,14-17H2,1H3/t20-,21+/m1/s1
InChIKey SYEBUPLCXLAGTG-RTWAWAEBSA-N
Molecular Weight 337.463 g/mol
SMILES C1(N([C@@]([C@](C1)(OCC=1C=CC=CC1)[H])(CCCC)[H])CC=1C=CC=CC1)=O