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2-Phenyl-6-(pyridin-2-yl)-4-(trifluoromethyl)-1H-pyrazolo-[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID 9W3JOI64Ts2
InChI InChI=1S/C18H11F3N4O/c19-18(20,21)12-10-14(13-8-4-5-9-22-13)23-16-15(12)17(26)25(24-16)11-6-2-1-3-7-11/h1-10H,(H,23,24)
InChIKey NJUKPKKMPNAQSS-UHFFFAOYSA-N
Mol Weight 356.31 g/mol
Molecular Formula C18H11F3N4O
Exact Mass 356.088495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXDIQK6FeRA
Name 2-Phenyl-6-(pyridin-2-yl)-4-(trifluoromethyl)-1H-pyrazolo-[3,4-b]pyridin-3(2H)-one
Appearance Dark red crystals
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Exact Mass 356.088495478 u
Formula C18H11F3N4O
InChI InChI=1S/C18H11F3N4O/c19-18(20,21)12-10-14(13-8-4-5-9-22-13)23-16-15(12)17(26)25(24-16)11-6-2-1-3-7-11/h1-10H,(H,23,24)
InChIKey NJUKPKKMPNAQSS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 356.308 g/mol
Quality 176
Reported Formula C18H10F3N4O
SMILES N1C2=NC(=CC(=C2C(N1C1=CC=CC=C1)=O)C(F)(F)F)C1=NC=CC=C1
SPLASH splash10-0pdi-5039000000-79b708ed5e260a5455d2
Source of Spectrum K1-2018-2639-2o (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891664