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1-[[(4-chlorobenzoyl)amino]methyl]isonipecotic acid ethyl ester
SpectraBase Compound ID 4Dcvc7xnRFL
InChI InChI=1S/C16H21ClN2O3/c1-2-22-16(21)13-7-9-19(10-8-13)11-18-15(20)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,18,20)
InChIKey PNFFOKIXQYLJTE-UHFFFAOYSA-N
Mol Weight 324.81 g/mol
Molecular Formula C16H21ClN2O3
Exact Mass 324.12407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEhVQgtGsX7
Name 1-[[(4-chlorobenzoyl)amino]methyl]isonipecotic acid ethyl ester
Alternate Name(s) 1-[[[(4-chlorophenyl)-oxomethyl]amino]methyl]-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[[(4-chlorobenzoyl)amino]methyl]piperidine-4-carboxylate Ethyl 1-[[(4-chlorophenyl)carbonylamino]methyl]piperidine-4-carboxylate
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Formula C16H21ClN2O3
InChI InChI=1S/C16H21ClN2O3/c1-2-22-16(21)13-7-9-19(10-8-13)11-18-15(20)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,18,20)
InChIKey PNFFOKIXQYLJTE-UHFFFAOYSA-N
Molecular Weight 324.808 g/mol
SMILES N(C(c1ccc(cc1)Cl)=O)CN1CCC(C(=O)OCC)CC1
SPLASH splash10-0ap0-5900000000-c302bbe8913012893ecc
Wiley ID 1452222