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2-[3'-HYDROXY-3'-(4''-TRIFLUOROMETHOXYPHENYL)-PROPYLAMINO]-4,6-DI-(PYRROLIDIN-1-YL)-PYRIMIDINE
SpectraBase Compound ID KCPx3u6KjZW
InChI InChI=1S/C22H28F3N5O2/c23-22(24,25)32-17-7-5-16(6-8-17)18(31)9-10-26-21-27-19(29-11-1-2-12-29)15-20(28-21)30-13-3-4-14-30/h5-8,15,18,31H,1-4,9-14H2,(H,26,27,28)
InChIKey NEPHOOHDPKXLNH-UHFFFAOYSA-N
Mol Weight 451.49 g/mol
Molecular Formula C22H28F3N5O2
Exact Mass 451.21951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIBHyn4skBi
Name 2-[3'-HYDROXY-3'-(4''-TRIFLUOROMETHOXYPHENYL)-PROPYLAMINO]-4,6-DI-(PYRROLIDIN-1-YL)-PYRIMIDINE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28F3N5O2
InChI InChI=1S/C22H28F3N5O2/c23-22(24,25)32-17-7-5-16(6-8-17)18(31)9-10-26-21-27-19(29-11-1-2-12-29)15-20(28-21)30-13-3-4-14-30/h5-8,15,18,31H,1-4,9-14H2,(H,26,27,28)
InChIKey NEPHOOHDPKXLNH-UHFFFAOYSA-N
Literature Reference Author L.JOUBRAN,W.R.JACKSON,E.M.CAMPI,A.J.ROBINSON,B.A.WELLS,P.D.G ODFREY,J.K.CALLAWAY,
Literature Reference Citation AUSTR.J.CHEM.,56,597(2003)
Literature Reference DOI 10.1071/CH03010
Molecular Weight 451.492 g/mol
Solvent CDCl3
Source File Reference UWKP3655