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3-[(2E)-2-[2-keto-2-[4-(trifluoromethyl)phenyl]ethylidene]-4,4-dimethyl-pyrrolidino]propionic acid
SpectraBase Compound ID Gruuyx8wLt1
InChI InChI=1S/C18H20F3NO3/c1-17(2)10-14(22(11-17)8-7-16(24)25)9-15(23)12-3-5-13(6-4-12)18(19,20)21/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,25)/b14-9+
InChIKey NDFXJGBEWMCUSS-NTEUORMPSA-N
Mol Weight 355.36 g/mol
Molecular Formula C18H20F3NO3
Exact Mass 355.139528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWyPbBC34oX
Name 3-[(2E)-2-[2-keto-2-[4-(trifluoromethyl)phenyl]ethylidene]-4,4-dimethyl-pyrrolidino]propionic acid
Alternate Name(s) 3(4,4-Dimethyl-2-[2-oxo-2-(4-trifluoromethyl-phenyl)-ethylidene]-pyrrolidin-1-yl)-propionic acid 3-[(2E)-4,4-dimethyl-2-[2-oxidanylidene-2-[4-(trifluoromethyl)phenyl]ethylidene]pyrrolidin-1-yl]propanoic acid 3-[(2E)-4,4-dimethyl-2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethylidene]-1-pyrrolidinyl]propanoic acid 3-[(2E)-4,4-dimethyl-2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethylidene]pyrrolidin-1-yl]propanoic acid (E)-3-(4,4-dimethyl-2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethylidene)pyrrolidin-1-yl)propanoic acid
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Formula C18H20F3NO3
InChI InChI=1S/C18H20F3NO3/c1-17(2)10-14(22(11-17)8-7-16(24)25)9-15(23)12-3-5-13(6-4-12)18(19,20)21/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,25)/b14-9+
InChIKey NDFXJGBEWMCUSS-NTEUORMPSA-N
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 355.357 g/mol
SMILES OC(CCN1\C(CC(C1)(C)C)=C/C(c1ccc(cc1)C(F)(F)F)=O)=O
SPLASH splash10-06r6-0419000000-4effd5a20b9df168dfaf
Source of Spectrum APP-330-80-4v
Wiley ID 1770179