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[4-[4,4-BIS-(4-FLUOROPHENYL)-BUTYL]-PIPERIDIN-1-YL]-CARBAMIC-ACID-2-(4-CYANOPHENYL)-ETHYLESTER

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[4-[4,4-BIS-(4-FLUOROPHENYL)-BUTYL]-PIPERIDIN-1-YL]-CARBAMIC-ACID-2-(4-CYANOPHENYL)-ETHYLESTER
SpectraBase Compound ID HR7C22pHCxt
InChI InChI=1S/C31H33F2N3O2/c32-27-11-7-25(8-12-27)30(26-9-13-28(33)14-10-26)2-1-18-36-19-15-29(16-20-36)35-31(37)38-21-17-23-3-5-24(22-34)6-4-23/h3-14,29-30H,1-2,15-21H2,(H,35,37)
InChIKey GALCSZPFCCZIBC-UHFFFAOYSA-N
Mol Weight 517.6 g/mol
Molecular Formula C31H33F2N3O2
Exact Mass 517.254084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzYpQ048LiS
Name [4-[4,4-BIS-(4-FLUOROPHENYL)-BUTYL]-PIPERIDIN-1-YL]-CARBAMIC-ACID-2-(4-CYANOPHENYL)-ETHYLESTER
Compound Number 4 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H33F2N3O2
InChI InChI=1S/C31H33F2N3O2/c32-27-11-7-25(8-12-27)30(26-9-13-28(33)14-10-26)2-1-18-36-19-15-29(16-20-36)35-31(37)38-21-17-23-3-5-24(22-34)6-4-23/h3-14,29-30H,1-2,15-21H2,(H,35,37)
InChIKey GALCSZPFCCZIBC-UHFFFAOYSA-N
Literature Reference Author R.POULAIN,D.HORVATH,B.BONNET,C.ECKHOFF,B.CHAPELAIN,M.C.BODIN IER,B.DEPREZ
Literature Reference Citation J.MED.CHEM.,44,3391(2001)
Literature Reference DOI 10.1021/jm010878g
Molecular Weight 517.619 g/mol
Sample ID 45108
Solvent DMSO-D6