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cis-N-Benzyl-4-(3-ethoxycarbonyl-3-buten-1-yl)-3-p-toluenesulfonylmethyl-pyrrolidin-2-one
SpectraBase Compound ID IrGmFquCyoF
InChI InChI=1S/C26H31NO5S/c1-4-32-26(29)20(3)12-13-22-17-27(16-21-8-6-5-7-9-21)25(28)24(22)18-33(30,31)23-14-10-19(2)11-15-23/h5-11,14-15,22,24H,3-4,12-13,16-18H2,1-2H3/t22-,24-/m1/s1
InChIKey LHCDCRJYSFGCNM-ISKFKSNPSA-N
Mol Weight 469.6 g/mol
Molecular Formula C26H31NO5S
Exact Mass 469.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0FYwrzEiei
Name cis-N-Benzyl-4-(3-ethoxycarbonyl-3-buten-1-yl)-3-p-toluenesulfonylmethyl-pyrrolidin-2-one
Alternate Name(s) Ethyl 2-[2-((3S,4R)-1-benzyl-4-{[(4-methylphenyl)sulfonyl]methyl}-5-oxopyrrolidinyl)ethyl]acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NO5S
InChI InChI=1S/C26H31NO5S/c1-4-32-26(29)20(3)12-13-22-17-27(16-21-8-6-5-7-9-21)25(28)24(22)18-33(30,31)23-14-10-19(2)11-15-23/h5-11,14-15,22,24H,3-4,12-13,16-18H2,1-2H3/t22-,24-/m1/s1
InChIKey LHCDCRJYSFGCNM-ISKFKSNPSA-N
Molecular Weight 469.596 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)[C@]1(C(N(Cc2ccccc2)C[C@]1(CCC(C(=O)OCC)=C)[H])=O)[H]
SPLASH splash10-0006-9013000000-ea4bd42ace5f69d7e6f8
Source of Spectrum F-47-5431-3
Wiley ID 1392643