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(5S)-1-Benzyl-5-benzyloxymethyl-3-(prop-2-en-1-yl)-2-pyrrolidinone

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(5S)-1-Benzyl-5-benzyloxymethyl-3-(prop-2-en-1-yl)-2-pyrrolidinone
SpectraBase Compound ID 41w3ABJOUJ5
InChI InChI=1S/C22H25NO2/c1-2-9-20-14-21(17-25-16-19-12-7-4-8-13-19)23(22(20)24)15-18-10-5-3-6-11-18/h2-8,10-13,20-21H,1,9,14-17H2/t20?,21-/m0/s1
InChIKey KZLPFKROQXNDAI-LBAQZLPGSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZdFN7HgmRe
Name (5S)-1-Benzyl-5-benzyloxymethyl-3-(prop-2-en-1-yl)-2-pyrrolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.188529047 u
Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c1-2-9-20-14-21(17-25-16-19-12-7-4-8-13-19)23(22(20)24)15-18-10-5-3-6-11-18/h2-8,10-13,20-21H,1,9,14-17H2/t20?,21-/m0/s1
InChIKey KZLPFKROQXNDAI-LBAQZLPGSA-N
Molecular Weight 335.447 g/mol
SMILES C1(N([C@@](CC1CC=C)(COCC=1C=CC=CC1)[H])CC=1C=CC=CC1)=O