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2,6-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID KVSkRC5uyxq
InChI InChI=1S/C9H8F3N3O/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 WKTOVIGNSZKEAY-UHFFFAOYSA-N
Mol Weight 231.18 g/mol
Molecular Formula C9H8F3N3O
Exact Mass 231.061946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HbIhIO7CbY
Name 2,6-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Gray solid
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Exact Mass 231.061946378 u
Formula C9H8F3N3O
InChI InChI=1S/C9H8F3N3O/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 WKTOVIGNSZKEAY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 231.178 g/mol
Quality 324
Reported Formula C9H8F3N3O
SMILES N1N(C(C=2C1=NC(=CC2C(F)(F)F)C)=O)C
SPLASH splash10-001i-0290000000-dbf16c7c802ba5713b9c
Source of Spectrum K1-2018-2641-2aa (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891641