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trans-N-Benzyl-4-(1,1-dimethyl-3-ethoxycarbonyl-3-buten-1-yl)-3-p-toluenesulfonylmethyl-pyrrolidin-2-one
SpectraBase Compound ID EnJHZAmnOvh
InChI InChI=1S/C28H35NO5S/c1-6-34-27(31)21(3)16-28(4,5)25-18-29(17-22-10-8-7-9-11-22)26(30)24(25)19-35(32,33)23-14-12-20(2)13-15-23/h7-15,24-25H,3,6,16-19H2,1-2,4-5H3/t24-,25+/m1/s1
InChIKey APXGJGQNKNPCBV-RPBOFIJWSA-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 7n4GEvzVY7p
Name trans-N-Benzyl-4-(1,1-dimethyl-3-ethoxycarbonyl-3-buten-1-yl)-3-p-toluenesulfonylmethyl-pyrrolidin-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO5S
InChI InChI=1S/C28H35NO5S/c1-6-34-27(31)21(3)16-28(4,5)25-18-29(17-22-10-8-7-9-11-22)26(30)24(25)19-35(32,33)23-14-12-20(2)13-15-23/h7-15,24-25H,3,6,16-19H2,1-2,4-5H3/t24-,25+/m1/s1
InChIKey APXGJGQNKNPCBV-RPBOFIJWSA-N
Molecular Weight 497.650 g/mol
SMILES [C@]1(C(N(Cc2ccccc2)C[C@@]1(C(CC(C(=O)OCC)=C)(C)C)[H])=O)(CS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0007-0009400000-34fc5a628d41e3648d81
Source of Spectrum F-47-5435-3
Synonyms Ethyl 2-[2-((3S,4R)-1-benzyl-4-{[(4-methylphenyl)sulfonyl]methyl}-5-oxopyrrolidinyl)-2-methylpropyl]acrylate
Wiley ID 1398416