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3-(4-BROMOPHENYL)-4-(4-CHLOROPHENYL)-5-CYANO-4,7-DIHYDRO-6-PHENYL-2H-PYRAZOLO-[3,4-B]-PYRIDINE
SpectraBase Compound ID 7jpWir36Nla
InChI InChI=1S/C25H16BrClN4/c26-18-10-6-17(7-11-18)24-22-21(15-8-12-19(27)13-9-15)20(14-28)23(29-25(22)31-30-24)16-4-2-1-3-5-16/h1-13,21H,(H2,29,30,31)
InChIKey CVZLCXQGGCGMBN-UHFFFAOYSA-N
Mol Weight 487.79 g/mol
Molecular Formula C25H16BrClN4
Exact Mass 486.024687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hx4Pov7tLeu
Name 3-(4-BROMOPHENYL)-4-(4-CHLOROPHENYL)-5-CYANO-4,7-DIHYDRO-6-PHENYL-2H-PYRAZOLO-[3,4-B]-PYRIDINE
Compound Number 4 E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H16BrClN4
InChI InChI=1S/C25H16BrClN4/c26-18-10-6-17(7-11-18)24-22-21(15-8-12-19(27)13-9-15)20(14-28)23(29-25(22)31-30-24)16-4-2-1-3-5-16/h1-13,21H,(H2,29,30,31)
InChIKey CVZLCXQGGCGMBN-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,S.CRUZ,B.INSUASTY,R.ABONIA,J.COBO,A.SANCHEZ,M.NOGU ERAS,J.N.LOW
Literature Reference Citation J.HETCYCL.CHEM.,38,53(2001)
Literature Reference DOI 10.1002/jhet.5570380108
Molecular Weight 487.786 g/mol
Solvent DMSO-D6
Source File Reference UWLU20921