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1-[4-nitro-2-[oxo-[4-(trifluoromethoxy)anilino]methyl]phenyl]-4-piperidinecarboxylic acid ethyl ester
SpectraBase Compound ID GJHK29vRJL0
InChI InChI=1S/C22H22F3N3O6/c1-2-33-21(30)14-9-11-27(12-10-14)19-8-5-16(28(31)32)13-18(19)20(29)26-15-3-6-17(7-4-15)34-22(23,24)25/h3-8,13-14H,2,9-12H2,1H3,(H,26,29)
InChIKey AKWVYSQQUQMMCZ-UHFFFAOYSA-N
Mol Weight 481.43 g/mol
Molecular Formula C22H22F3N3O6
Exact Mass 481.14607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1buUocqZpZ8
Name 1-[4-nitro-2-[oxo-[4-(trifluoromethoxy)anilino]methyl]phenyl]-4-piperidinecarboxylic acid ethyl ester
Alternate Name(s) 1-[4-nitro-2-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]isonipecotic acid ethyl ester Ethyl 1-[4-nitro-2-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]piperidine-4-carboxylate Ethyl 1-[4-nitro-2-[[4-(trifluoromethyloxy)phenyl]carbamoyl]phenyl]piperidine-4-carboxylate
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Formula C22H22F3N3O6
InChI InChI=1S/C22H22F3N3O6/c1-2-33-21(30)14-9-11-27(12-10-14)19-8-5-16(28(31)32)13-18(19)20(29)26-15-3-6-17(7-4-15)34-22(23,24)25/h3-8,13-14H,2,9-12H2,1H3,(H,26,29)
InChIKey AKWVYSQQUQMMCZ-UHFFFAOYSA-N
Molecular Weight 481.428 g/mol
SMILES N(C(c1c(N2CCC(C(=O)OCC)CC2)ccc(N(=O)=O)c1)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-004i-4931000000-8537eed3fad0b873a7e8
Wiley ID 1437739