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1-[2-[(3-fluorobenzoyl)amino]benzoyl]isonipecotic acid ethyl ester
SpectraBase Compound ID BeMyIDeWipY
InChI InChI=1S/C22H23FN2O4/c1-2-29-22(28)15-10-12-25(13-11-15)21(27)18-8-3-4-9-19(18)24-20(26)16-6-5-7-17(23)14-16/h3-9,14-15H,2,10-13H2,1H3,(H,24,26)
InChIKey ITGINKIFYALECC-UHFFFAOYSA-N
Mol Weight 398.43 g/mol
Molecular Formula C22H23FN2O4
Exact Mass 398.164185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDiDCCOes14
Name 1-[2-[(3-fluorobenzoyl)amino]benzoyl]isonipecotic acid ethyl ester
Alternate Name(s) 1-[[2-[[(3-fluorophenyl)-oxomethyl]amino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[2-[(3-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxylate Ethyl 1-[2-[(3-fluorophenyl)carbonylamino]phenyl]carbonylpiperidine-4-carboxylate Ethyl 1-{2-[(3-fluorobenzoyl)amino]benzoyl}-4-piperidinecarboxylate
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Formula C22H23FN2O4
InChI InChI=1S/C22H23FN2O4/c1-2-29-22(28)15-10-12-25(13-11-15)21(27)18-8-3-4-9-19(18)24-20(26)16-6-5-7-17(23)14-16/h3-9,14-15H,2,10-13H2,1H3,(H,24,26)
InChIKey ITGINKIFYALECC-UHFFFAOYSA-N
Molecular Weight 398.434 g/mol
SMILES N(C(c1cc(F)ccc1)=O)c1c(C(N2CCC(C(=O)OCC)CC2)=O)cccc1
SPLASH splash10-05fs-5910000000-e1d890498197b2dda145
Wiley ID 1452364