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6-(4-Bromophenyl)-4-(perfluoroethyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID 9RJPKHZ9I3Z
InChI InChI=1S/C20H11BrF5N3O/c21-12-8-6-11(7-9-12)15-10-14(19(22,23)20(24,25)26)16-17(27-15)28-29(18(16)30)13-4-2-1-3-5-13/h1-10H,(H,27,28)
InChIKey FVOQQKOPIAUXBA-UHFFFAOYSA-N
Mol Weight 484.22 g/mol
Molecular Formula C20H11BrF5N3O
Exact Mass 483.000566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXEoG2yexE5
Name 6-(4-Bromophenyl)-4-(perfluoroethyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Yellow crystals
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Exact Mass 483.000565800 u
Formula C20H11BrF5N3O
InChI InChI=1S/C20H11BrF5N3O/c21-12-8-6-11(7-9-12)15-10-14(19(22,23)20(24,25)26)16-17(27-15)28-29(18(16)30)13-4-2-1-3-5-13/h1-10H,(H,27,28)
InChIKey FVOQQKOPIAUXBA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 484.224 g/mol
Quality 261
Reported Formula C20H11BrF5N3O
SMILES N1C2=NC(=CC(=C2C(N1C1=CC=CC=C1)=O)C(F)(F)C(F)(F)F)C1=CC=C(C=C1)Br
SPLASH splash10-0040-3000900000-91011e2a10c5d54273e9
Source of Spectrum K1-2018-2641-2y (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891672