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1-[3-keto-3-[4-(trifluoromethoxy)anilino]propyl]-4-phenyl-isonipecotic acid ethyl ester
SpectraBase Compound ID 6Vcav6vjsdY
InChI InChI=1S/C24H27F3N2O4/c1-2-32-22(31)23(18-6-4-3-5-7-18)13-16-29(17-14-23)15-12-21(30)28-19-8-10-20(11-9-19)33-24(25,26)27/h3-11H,2,12-17H2,1H3,(H,28,30)
InChIKey QBPUQGAMYQQEQM-UHFFFAOYSA-N
Mol Weight 464.49 g/mol
Molecular Formula C24H27F3N2O4
Exact Mass 464.192292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHlWjQLmeTZ
Name 1-[3-keto-3-[4-(trifluoromethoxy)anilino]propyl]-4-phenyl-isonipecotic acid ethyl ester
Alternate Name(s) 1-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[3-oxidanylidene-3-[[4-(trifluoromethyloxy)phenyl]amino]propyl]-4-phenyl-piperidine-4-carboxylate Ethyl 1-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-4-phenyl-piperidine-4-carboxylate
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Formula C24H27F3N2O4
InChI InChI=1S/C24H27F3N2O4/c1-2-32-22(31)23(18-6-4-3-5-7-18)13-16-29(17-14-23)15-12-21(30)28-19-8-10-20(11-9-19)33-24(25,26)27/h3-11H,2,12-17H2,1H3,(H,28,30)
InChIKey QBPUQGAMYQQEQM-UHFFFAOYSA-N
Molecular Weight 464.485 g/mol
SMILES N(C(CCN1CCC(C(=O)OCC)(CC1)c1ccccc1)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-0002-5790000000-86737691989da2907877
Wiley ID 1442122