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6-(3-Bromophenyl)-2-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID Jg0Yn0kKdLY
InChI InChI=1S/C19H11BrF3N3O/c20-12-6-4-5-11(9-12)15-10-14(19(21,22)23)16-17(24-15)25-26(18(16)27)13-7-2-1-3-8-13/h1-10H,(H,24,25)
InChIKey WQXADQSIAIYCEY-UHFFFAOYSA-N
Mol Weight 434.22 g/mol
Molecular Formula C19H11BrF3N3O
Exact Mass 433.003759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Zy8V144R0m
Name 6-(3-Bromophenyl)-2-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Yellow crystals
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Exact Mass 433.003759474 u
Formula C19H11BrF3N3O
InChI InChI=1S/C19H11BrF3N3O/c20-12-6-4-5-11(9-12)15-10-14(19(21,22)23)16-17(24-15)25-26(18(16)27)13-7-2-1-3-8-13/h1-10H,(H,24,25)
InChIKey WQXADQSIAIYCEY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 434.216 g/mol
Quality 397
Reported Formula C19H11BrF3N3O
SMILES N1C2=NC(=CC(=C2C(N1C1=CC=CC=C1)=O)C(F)(F)F)C1=CC=CC(=C1)Br
SPLASH splash10-0fa9-3000900000-f32a51225b07c46303bd
Source of Spectrum K1-2018-2640-2u (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891669