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2-Methyl-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID 2ViKaAi1sgY
InChI InChI=1S/C14H10F3N3O/c1-20-13(21)11-9(14(15,16)17)7-10(18-12(11)19-20)8-5-3-2-4-6-8/h2-7H,1H3,(H,18,19)
InChIKey JHKVMKVAQGHAEE-UHFFFAOYSA-N
Mol Weight 293.25 g/mol
Molecular Formula C14H10F3N3O
Exact Mass 293.077596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cLRJVcLi94
Name 2-Methyl-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Yellow crystals
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Exact Mass 293.077596442 u
Formula C14H10F3N3O
InChI InChI=1S/C14H10F3N3O/c1-20-13(21)11-9(14(15,16)17)7-10(18-12(11)19-20)8-5-3-2-4-6-8/h2-7H,1H3,(H,18,19)
InChIKey JHKVMKVAQGHAEE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 293.249 g/mol
Quality 239
Reported Formula C14H10F3N3O
SMILES N1N(C(C=2C1=NC(=CC2C(F)(F)F)C1=CC=CC=C1)=O)C
SPLASH splash10-0006-0090000000-2ef3cae58f78a5d99722
Source of Spectrum K1-2018-2641-2ab (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891642