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4-(Chlorodifluoromethyl)-6-(4-chlorophenyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID H3uh0j0eBwU
InChI InChI=1S/C14H9Cl2F2N3O/c1-21-13(22)11-9(14(16,17)18)6-10(19-12(11)20-21)7-2-4-8(15)5-3-7/h2-6H,1H3,(H,19,20)
InChIKey NPPRYQMQHWFJEG-UHFFFAOYSA-N
Mol Weight 344.15 g/mol
Molecular Formula C14H9Cl2F2N3O
Exact Mass 343.009074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PYiObZ7YDh
Name 4-(Chlorodifluoromethyl)-6-(4-chlorophenyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Yellow crystals
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Exact Mass 343.009073647 u
Formula C14H9Cl2F2N3O
InChI InChI=1S/C14H9Cl2F2N3O/c1-21-13(22)11-9(14(16,17)18)6-10(19-12(11)20-21)7-2-4-8(15)5-3-7/h2-6H,1H3,(H,19,20)
InChIKey NPPRYQMQHWFJEG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 344.149 g/mol
Quality 169
Reported Formula C14H9Cl2F2N3O
SMILES N1N(C(C=2C1=NC(=CC2C(Cl)(F)F)C1=CC=C(C=C1)Cl)=O)C
SPLASH splash10-002f-9227000000-b95b1acf3236762f0298
Source of Spectrum K1-2018-2643-2ai (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891649