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4-(Chlorodifluoromethyl)-6-(4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID FbvXTSTSQvk
InChI InChI=1S/C21H16ClF2N3O/c1-13-19-17(21(22,23)24)12-18(14-8-10-16(28-2)11-9-14)25-20(19)27(26-13)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKey BZECGXKMDUJOHP-UHFFFAOYSA-N
Mol Weight 399.83 g/mol
Molecular Formula C21H16ClF2N3O
Exact Mass 399.094996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fu0kxAMhuHK
Name 4-(Chlorodifluoromethyl)-6-(4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C21H16ClF2N3O
InChI InChI=1S/C21H16ClF2N3O/c1-13-19-17(21(22,23)24)12-18(14-8-10-16(28-2)11-9-14)25-20(19)27(26-13)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKey BZECGXKMDUJOHP-UHFFFAOYSA-N
Molecular Weight 399.829 g/mol
SMILES c12[n](nc(c2c(C(F)(F)Cl)cc(n1)-c1ccc(cc1)OC)C)-c1ccccc1
SPLASH splash10-0f6t-0009500000-b77c6012f1f99f253817
Source of Spectrum F-67-5669-7b
Synonyms 4-[chloro(difluoro)methyl]-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine 4-[chloranyl-bis(fluoranyl)methyl]-6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine
Wiley ID 1687131