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6-[3'-(4''-BrOMOPHENYL)-3'-HYDROXYPROPYLAMINO]-2,4-DI-(PYRROLIDIN-1-YL)-PYRIMIDINE
SpectraBase Compound ID Klk4VuIqhEB
InChI InChI=1S/C21H28BrN5O/c22-17-7-5-16(6-8-17)18(28)9-10-23-19-15-20(26-11-1-2-12-26)25-21(24-19)27-13-3-4-14-27/h5-8,15,18,28H,1-4,9-14H2,(H,23,24,25)
InChIKey XDTGJEDNRAAZMO-UHFFFAOYSA-N
Mol Weight 446.39 g/mol
Molecular Formula C21H28BrN5O
Exact Mass 445.147724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AX0NhjSy3YV
Name 6-[3'-(4''-BrOMOPHENYL)-3'-HYDROXYPROPYLAMINO]-2,4-DI-(PYRROLIDIN-1-YL)-PYRIMIDINE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28BrN5O
InChI InChI=1S/C21H28BrN5O/c22-17-7-5-16(6-8-17)18(28)9-10-23-19-15-20(26-11-1-2-12-26)25-21(24-19)27-13-3-4-14-27/h5-8,15,18,28H,1-4,9-14H2,(H,23,24,25)
InChIKey XDTGJEDNRAAZMO-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 446.390 g/mol
Solvent CDCl3
Source File Reference UWKP3649