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6-(2-Bromophenyl)-4-(perfluoroethyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID 8daSvbwGO9k
InChI InChI=1S/C20H11BrF5N3O/c21-14-9-5-4-8-12(14)15-10-13(19(22,23)20(24,25)26)16-17(27-15)28-29(18(16)30)11-6-2-1-3-7-11/h1-10H,(H,27,28)
InChIKey XVOOLOIBIUFAPJ-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 Ex1untd62UK
Name 6-(2-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/c21-14-9-5-4-8-12(14)15-10-13(19(22,23)20(24,25)26)16-17(27-15)28-29(18(16)30)11-6-2-1-3-7-11/h1-10H,(H,27,28)
InChIKey XVOOLOIBIUFAPJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 484.224 g/mol
Quality 294
Reported Formula C20H11BrF5N3O
SMILES N1C2=NC(=CC(=C2C(N1C1=CC=CC=C1)=O)C(C(F)(F)F)(F)F)C1=CC=CC=C1Br
SPLASH splash10-0040-2000900000-7a1bda687c3d27c9e246
Source of Spectrum K1-2018-2640-2s (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891667