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4-(Chlorodifluoromethyl)-2,6-dimethyl-1H-pyrazolo[3,4-b]-pyridin-3(2H)-one
SpectraBase Compound ID 4fIpkzy0Ink
InChI InChI=1S/C9H8ClF2N3O/c1-4-3-5(9(10,11)12)6-7(13-4)14-15(2)8(6)16/h3H,1-2H3,(H,13,14)
InChIKey YFVGURFDBCDTKO-UHFFFAOYSA-N
Mol Weight 247.63 g/mol
Molecular Formula C9H8ClF2N3O
Exact Mass 247.032396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEgXOhXteYG
Name 4-(Chlorodifluoromethyl)-2,6-dimethyl-1H-pyrazolo[3,4-b]-pyridin-3(2H)-one
Appearance Yellow solid
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Exact Mass 247.032395915 u
Formula C9H8ClF2N3O
InChI InChI=1S/C9H8ClF2N3O/c1-4-3-5(9(10,11)12)6-7(13-4)14-15(2)8(6)16/h3H,1-2H3,(H,13,14)
InChIKey YFVGURFDBCDTKO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 247.633 g/mol
Quality 368
Reported Formula C9H8ClF2N3O
SMILES N1N(C(C=2C1=NC(=CC2C(Cl)(F)F)C)=O)C
SPLASH splash10-0002-0090000000-0220340db0d1e2131004
Source of Spectrum K1-2018-2642-2af (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891646