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3,4-bis(p-fluorophenyl)-1-phenyl-6-(trifluoromethyl)-1H-pyrazolo[3,4b]pyridine
SpectraBase Compound ID EIkhX3SK5uy
InChI InChI=1S/C25H14F5N3/c26-17-10-6-15(7-11-17)20-14-21(25(28,29)30)31-24-22(20)23(16-8-12-18(27)13-9-16)32-33(24)19-4-2-1-3-5-19/h1-14H
InChIKey JFEKESUBOFILHM-UHFFFAOYSA-N
Mol Weight 451.4 g/mol
Molecular Formula C25H14F5N3
Exact Mass 451.110788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LADXjyZzfc4
Name 3,4-bis(p-Fluorophenyl)-1-phenyl-6-(trifluoromethyl)-1H-pyrazolo[3,4B]pyridine
Comments Computed using HOSE algorithm
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Exact Mass 451.110788278 u
Formula C25H14F5N3
InChI InChI=1S/C25H14F5N3/c26-17-10-6-15(7-11-17)20-14-21(25(28,29)30)31-24-22(20)23(16-8-12-18(27)13-9-16)32-33(24)19-4-2-1-3-5-19/h1-14H
InChIKey JFEKESUBOFILHM-UHFFFAOYSA-N
Molecular Weight 451.400 g/mol
SMILES C(F)(F)(F)C1=NC2=C(C(=C1)C=1C=CC(=CC1)F)C(=NN2C=1C=CC=CC1)C=1C=CC(=CC1)F