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N-[1-(4-FLUOROPHENYL)-PYRAZOL-3-YL]-N-(1-BENZYL-4-PIPERIDYL)-PROPANAMIDE-OXALATE-SALT
SpectraBase Compound ID 1pC0Gn8hbqW
InChI InChI=1S/C24H27FN4O.C2H2O4/c1-2-24(30)29(23-14-17-28(26-23)21-10-8-20(25)9-11-21)22-12-15-27(16-13-22)18-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,14,17,22H,2,12-13,15-16,18H2,1H3;(H,3,4)(H,5,6)
InChIKey GEHCHJYYKNTHTH-UHFFFAOYSA-N
Mol Weight 496.54 g/mol
Molecular Formula C26H29FN4O5
Exact Mass 496.212198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BFoqBhgjbQw
Name N-[1-(4-FLUOROPHENYL)-PYRAZOL-3-YL]-N-(1-BENZYL-4-PIPERIDYL)-PROPANAMIDE-OXALATE-SALT
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H29FN4O5
InChI InChI=1S/C24H27FN4O.C2H2O4/c1-2-24(30)29(23-14-17-28(26-23)21-10-8-20(25)9-11-21)22-12-15-27(16-13-22)18-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,14,17,22H,2,12-13,15-16,18H2,1H3;(H,3,4)(H,5,6)
InChIKey GEHCHJYYKNTHTH-UHFFFAOYSA-N
Literature Reference Author N.JAGEROVIC,C.CANO,J.ELGUERO,P.GOYA,L.F.CALLADO,J.J.MEANA,R. GIRON,R.ABALO,D.RUIZ
Literature Reference Citation BIOORG.MED.CHEM.,10,817(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00345-5
Molecular Weight 496.538 g/mol
Solvent CD3OD
Source File Reference UWLU30968