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1-[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester
SpectraBase Compound ID 8Vy9MhoBc49
InChI InChI=1S/C23H27BrN2O3/c1-3-29-22(28)23(18-7-5-4-6-8-18)11-13-26(14-12-23)16-21(27)25-19-10-9-17(2)20(24)15-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,27)
InChIKey SCGPBECJQKUHHP-UHFFFAOYSA-N
Mol Weight 459.38 g/mol
Molecular Formula C23H27BrN2O3
Exact Mass 458.120506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHfGjXi67Xi
Name 1-[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester
Alternate Name(s) 1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]-4-phenyl-piperidine-4-carboxylate Ethyl 1-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidine-4-carboxylate
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Formula C23H27BrN2O3
InChI InChI=1S/C23H27BrN2O3/c1-3-29-22(28)23(18-7-5-4-6-8-18)11-13-26(14-12-23)16-21(27)25-19-10-9-17(2)20(24)15-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,27)
InChIKey SCGPBECJQKUHHP-UHFFFAOYSA-N
Molecular Weight 459.384 g/mol
SMILES N(C(CN1CCC(C(=O)OCC)(CC1)c1ccccc1)=O)c1cc(Br)c(cc1)C
SPLASH splash10-0002-5490000000-2adee0bb7dfb8ebc3261
Wiley ID 1464754