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4-AMINO-3-(PARA-CHLOROPHENYL)-1-CYClOHEXYLPYRAZOLO-[3,4-D]-PYRIMIDINE
SpectraBase Compound ID JmJHbjmd6Xb
InChI InChI=1S/C17H18ClN5/c18-12-8-6-11(7-9-12)15-14-16(19)20-10-21-17(14)23(22-15)13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H2,19,20,21)
InChIKey BWDYUKOCNDOUBV-UHFFFAOYSA-N
Mol Weight 327.82 g/mol
Molecular Formula C17H18ClN5
Exact Mass 327.125073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NpAkT1PLqv
Name 4-AMINO-3-(PARA-CHLOROPHENYL)-1-CYClOHEXYLPYRAZOLO-[3,4-D]-PYRIMIDINE
Compound Number 8G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18ClN5
InChI InChI=1S/C17H18ClN5/c18-12-8-6-11(7-9-12)15-14-16(19)20-10-21-17(14)23(22-15)13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H2,19,20,21)
InChIKey BWDYUKOCNDOUBV-UHFFFAOYSA-N
Literature Reference Author U.HANEFELD,C.W.REES,A.J.P.WHITE,D.J.WILLIAMS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1545(1996)
Literature Reference DOI 10.1039/p19960001545
Molecular Weight 327.816 g/mol
Solvent DMSO-D6
Source File Reference WANG1765