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2-[4',4'-Dimethyl-2'-[2''-oxo-2''-(4"'-<methanosulfonyl>phenyl)ethylidene]-pyrrolidin-1'-yl}propionic acid
SpectraBase Compound ID ICHuB7lu5D9
InChI InChI=1S/C18H23NO5S/c1-12(17(21)22)19-11-18(2,3)10-14(19)9-16(20)13-5-7-15(8-6-13)25(4,23)24/h5-9,12H,10-11H2,1-4H3,(H,21,22)/b14-9+
InChIKey UFAAMWXWHHZKJX-NTEUORMPSA-N
Mol Weight 365.44 g/mol
Molecular Formula C18H23NO5S
Exact Mass 365.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JObQEcVLK35
Name 2-[4',4'-Dimethyl-2'-[2''-oxo-2''-(4"'-phenyl)ethylidene]-pyrrolidin-1'-yl}propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO5S
InChI InChI=1S/C18H23NO5S/c1-12(17(21)22)19-11-18(2,3)10-14(19)9-16(20)13-5-7-15(8-6-13)25(4,23)24/h5-9,12H,10-11H2,1-4H3,(H,21,22)/b14-9+
InChIKey UFAAMWXWHHZKJX-NTEUORMPSA-N
Molecular Weight 365.444 g/mol
SMILES OC(C(N1\C(=C\C(c2ccc(S(=O)(=O)C)cc2)=O)CC(C1)(C)C)C)=O
SPLASH splash10-0002-0109000000-91fe6e4ac6236c080293
Source of Spectrum D8-330-81-5
Synonyms 3-[4',4'-Dimethyl-2'-[2''-oxo-2''-(4'''-phenyl)ethylidene]-pyrrolidin-1'-yl}propionic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]-1-pyrrolidinyl]propanoic acid 2-(2-[2-(4-Methanesulfonyl-phenyl)-2-oxo-ethylidene]-4,4-dimethylpyrrolidin-1-yl)-propionic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]pyrrolidin-1-yl]propanoic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxo-ethylidene]pyrrolidin-1-yl]propanoic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]propanoic acid (E)-2-(4,4-dimethyl-2-(2-(4-(methylsulfonyl)phenyl)-2-oxoethylidene)pyrrolidin-1-yl)propanoic acid
Wiley ID 1516428