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(5S)-1-Benzyl-5-benzyloxymethyl-3-(prop-2-yn-1-yl)pyrrolidinone
SpectraBase Compound ID 3Ka5F1uE24T
InChI InChI=1S/C22H23NO2/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/h1,3-8,10-13,20-21H,9,14-17H2/t20?,21-/m0/s1
InChIKey KNMCCANAOUZVNM-LBAQZLPGSA-N
Mol Weight 333.43 g/mol
Molecular Formula C22H23NO2
Exact Mass 333.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BS04fSe59fS
Name (5S)-1-Benzyl-5-benzyloxymethyl-3-(prop-2-yn-1-yl)pyrrolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO2
InChI InChI=1S/C22H23NO2/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/h1,3-8,10-13,20-21H,9,14-17H2/t20?,21-/m0/s1
InChIKey KNMCCANAOUZVNM-LBAQZLPGSA-N
Molecular Weight 333.431 g/mol
SMILES C1(N([C@@](CC1CC#C)(COCc1ccccc1)[H])Cc1ccccc1)=O
SPLASH splash10-01po-9085000000-c6d1c81985f675d172aa
Source of Spectrum QC-7-1025-5
Synonyms (5S)-1-benzyl-5-[(benzyloxy)methyl]-3-(2-propynyl)-2-pyrrolidinone
Wiley ID 869146