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6-(2-Bromophenyl)-4-(perfluoropropyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID DYWj9EsAPEq
InChI InChI=1S/C21H11BrF7N3O/c22-14-9-5-4-8-12(14)15-10-13(19(23,24)20(25,26)21(27,28)29)16-17(30-15)31-32(18(16)33)11-6-2-1-3-7-11/h1-10H,(H,30,31)
InChIKey DAPZQZWXPDRFKG-UHFFFAOYSA-N
Mol Weight 534.23 g/mol
Molecular Formula C21H11BrF7N3O
Exact Mass 532.997372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IztGsplIXTZ
Name 6-(2-Bromophenyl)-4-(perfluoropropyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Yellow crystals
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Exact Mass 532.997372126 u
Formula C21H11BrF7N3O
InChI InChI=1S/C21H11BrF7N3O/c22-14-9-5-4-8-12(14)15-10-13(19(23,24)20(25,26)21(27,28)29)16-17(30-15)31-32(18(16)33)11-6-2-1-3-7-11/h1-10H,(H,30,31)
InChIKey DAPZQZWXPDRFKG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 534.232 g/mol
Quality 217
Reported Formula C21H11BrF7N3O
SMILES N1C2=NC(=CC(=C2C(N1C1=CC=CC=C1)=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC=CC=C1Br
SPLASH splash10-0ug0-9000080000-558a3082fbfe526e4c53
Source of Spectrum K1-2018-2640-2t (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891668