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1-[3-(3-bromo-4-methyl-anilino)-3-keto-propyl]-4-phenyl-isonipecotic acid ethyl ester
SpectraBase Compound ID BvWHMWS3v4k
InChI InChI=1S/C24H29BrN2O3/c1-3-30-23(29)24(19-7-5-4-6-8-19)12-15-27(16-13-24)14-11-22(28)26-20-10-9-18(2)21(25)17-20/h4-10,17H,3,11-16H2,1-2H3,(H,26,28)
InChIKey LVWKBSPWHRKKSU-UHFFFAOYSA-N
Mol Weight 473.41 g/mol
Molecular Formula C24H29BrN2O3
Exact Mass 472.136156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcWadeXiCiM
Name 1-[3-(3-bromo-4-methyl-anilino)-3-keto-propyl]-4-phenyl-isonipecotic acid ethyl ester
Alternate Name(s) 1-[3-(3-bromo-4-methylanilino)-3-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[3-(3-bromo-4-methyl-anilino)-3-oxo-propyl]-4-phenyl-piperidine-4-carboxylate Ethyl 1-[3-[(3-bromanyl-4-methyl-phenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidine-4-carboxylate
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Formula C24H29BrN2O3
InChI InChI=1S/C24H29BrN2O3/c1-3-30-23(29)24(19-7-5-4-6-8-19)12-15-27(16-13-24)14-11-22(28)26-20-10-9-18(2)21(25)17-20/h4-10,17H,3,11-16H2,1-2H3,(H,26,28)
InChIKey LVWKBSPWHRKKSU-UHFFFAOYSA-N
Molecular Weight 473.411 g/mol
SMILES N(C(CCN1CCC(C(=O)OCC)(CC1)c1ccccc1)=O)c1cc(Br)c(cc1)C
SPLASH splash10-0005-9670100000-1b45950a5ed310ce9e71
Wiley ID 1464755