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N-[1-(4-FLUOROPHENYL)-PYRAZOL-3-YL]-N-[1-(2-PHENETHYL)-4-PIPERIDYL]-PROPANAMIDE-OXALATE-SALT
SpectraBase Compound ID 2kxayJni6ux
InChI InChI=1S/C25H29FN4O.C2H2O4/c1-2-25(31)30(24-15-19-29(27-24)22-10-8-21(26)9-11-22)23-13-17-28(18-14-23)16-12-20-6-4-3-5-7-20;3-1(4)2(5)6/h3-11,15,19,23H,2,12-14,16-18H2,1H3;(H,3,4)(H,5,6)
InChIKey FDYWNZKSUNTYOD-UHFFFAOYSA-N
Mol Weight 510.57 g/mol
Molecular Formula C27H31FN4O5
Exact Mass 510.227848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCs0VRJB7xs
Name N-[1-(4-FLUOROPHENYL)-PYRAZOL-3-YL]-N-[1-(2-PHENETHYL)-4-PIPERIDYL]-PROPANAMIDE-OXALATE-SALT
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31FN4O5
InChI InChI=1S/C25H29FN4O.C2H2O4/c1-2-25(31)30(24-15-19-29(27-24)22-10-8-21(26)9-11-22)23-13-17-28(18-14-23)16-12-20-6-4-3-5-7-20;3-1(4)2(5)6/h3-11,15,19,23H,2,12-14,16-18H2,1H3;(H,3,4)(H,5,6)
InChIKey FDYWNZKSUNTYOD-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 510.565 g/mol
Solvent CD3OD
Source File Reference UWLU30970