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1-[2-(4-chlorobenzoyl)-4-nitro-phenyl]isonipecotic acid ethyl ester
SpectraBase Compound ID 6pGL6IaPpBV
InChI InChI=1S/C21H21ClN2O5/c1-2-29-21(26)15-9-11-23(12-10-15)19-8-7-17(24(27)28)13-18(19)20(25)14-3-5-16(22)6-4-14/h3-8,13,15H,2,9-12H2,1H3
InChIKey RCLDTEHOJXMQPY-UHFFFAOYSA-N
Mol Weight 416.86 g/mol
Molecular Formula C21H21ClN2O5
Exact Mass 416.113899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ysdy2Ncc8N
Name 1-[2-(4-chlorobenzoyl)-4-nitro-phenyl]isonipecotic acid ethyl ester
Alternate Name(s) 1-[2-[(4-chlorophenyl)-oxomethyl]-4-nitrophenyl]-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[2-(4-chlorobenzoyl)-4-nitro-phenyl]piperidine-4-carboxylate Ethyl 1-[2-(4-chlorophenyl)carbonyl-4-nitro-phenyl]piperidine-4-carboxylate
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Formula C21H21ClN2O5
InChI InChI=1S/C21H21ClN2O5/c1-2-29-21(26)15-9-11-23(12-10-15)19-8-7-17(24(27)28)13-18(19)20(25)14-3-5-16(22)6-4-14/h3-8,13,15H,2,9-12H2,1H3
InChIKey RCLDTEHOJXMQPY-UHFFFAOYSA-N
Molecular Weight 416.861 g/mol
SMILES c1(c(N2CCC(C(=O)OCC)CC2)ccc(N(=O)=O)c1)C(c1ccc(cc1)Cl)=O
SPLASH splash10-0002-4957100000-c59c2c1c7670a9b9cba5
Wiley ID 1447976