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2-[4',4'-Dimethyl-2'-[2''-oxo-2''-phenylethylidene]-pyrrolidin-1'-yl}propinic acid
SpectraBase Compound ID EQnIjjyUgwh
InChI InChI=1S/C17H21NO3/c1-12(16(20)21)18-11-17(2,3)10-14(18)9-15(19)13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3,(H,20,21)/b14-9+
InChIKey KDDJDYLYXQPWJS-NTEUORMPSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dDcf6HZu6q
Name 2-[4',4'-Dimethyl-2'-[2''-oxo-2''-phenylethylidene]-pyrrolidin-1'-yl}propinic acid
Alternate Name(s) 2-[4,4-Dimethyl-2-(2-oxo-2-phenyl-ethylidene)-pyrrolidin-1-yl]-propionic acid 2-[(2E)-4,4-dimethyl-2-phenacylidene-1-pyrrolidinyl]propanoic acid 2-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]propanoic acid 2-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]propanoic acid (E)-2-(4,4-dimethyl-2-(2-oxo-2-phenylethylidene)pyrrolidin-1-yl)propanoic acid
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Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-12(16(20)21)18-11-17(2,3)10-14(18)9-15(19)13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3,(H,20,21)/b14-9+
InChIKey KDDJDYLYXQPWJS-NTEUORMPSA-N
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 287.359 g/mol
SMILES OC(C(C)N1\C(CC(C1)(C)C)=C/C(c1ccccc1)=O)=O
SPLASH splash10-0a70-2940000000-01167b0deb6ac5ebab2e
Source of Spectrum APP-330-80-5a
Wiley ID 1770183