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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 DcQPmZ2lBp5
Name 2-[4',4'-Dimethyl-2'-[2''-oxo-2''-(4"'-phenyl)ethylidene]-pyrrolidin-1'-yl}propionic acid
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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
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 365.444 g/mol
SMILES OC(C(C)N1\C(CC(C1)(C)C)=C/C(c1ccc(cc1)S(C)(=O)=O)=O)=O
SPLASH splash10-0002-0109000000-d8da74aed757183bc4aa
Source of Spectrum APP-330-81-5h
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 1770189