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trans-N-Benzyl-3-(1,1-dimethyl-3-ethoxycarbonyl-3-buten-1-yl)-4-p-toluenesulfonylmethyl-pyrrolidin-2-one
SpectraBase Compound ID 71GUDZJV750
InChI InChI=1S/C28H35NO5S/c1-6-34-27(31)21(3)16-28(4,5)25-23(19-35(32,33)24-14-12-20(2)13-15-24)18-29(26(25)30)17-22-10-8-7-9-11-22/h7-15,23,25H,3,6,16-19H2,1-2,4-5H3/t23-,25-/m1/s1
InChIKey HXGUWRSHILCCSD-ILBGXUMGSA-N
Mol Weight 497.7 g/mol
Molecular Formula C28H35NO5S
Exact Mass 497.223594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6W4SCkP49w
Name trans-N-Benzyl-3-(1,1-dimethyl-3-ethoxycarbonyl-3-buten-1-yl)-4-p-toluenesulfonylmethyl-pyrrolidin-2-one
Alternate Name(s) Ethyl 2-[2-((3S,4R)-1-benzyl-4-{[(4-methylphenyl)sulfonyl]methyl}-2-oxopyrrolidinyl)-2-methylpropyl]acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO5S
InChI InChI=1S/C28H35NO5S/c1-6-34-27(31)21(3)16-28(4,5)25-23(19-35(32,33)24-14-12-20(2)13-15-24)18-29(26(25)30)17-22-10-8-7-9-11-22/h7-15,23,25H,3,6,16-19H2,1-2,4-5H3/t23-,25-/m1/s1
InChIKey HXGUWRSHILCCSD-ILBGXUMGSA-N
Molecular Weight 497.650 g/mol
SMILES C1(N(C[C@@]([C@]1(C(CC(C(=O)OCC)=C)(C)C)[H])(CS(c1ccc(cc1)C)(=O)=O)[H])Cc1ccccc1)=O
SPLASH splash10-002b-0045900000-83baba40cd8c0783bc85
Source of Spectrum F-47-5435-3
Wiley ID 1398418