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4-(Chlorodifluoromethyl)-6-(4-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID Df5zAqZYePb
InChI InChI=1S/C20H13Cl2F2N3/c1-12-18-16(20(22,23)24)11-17(13-7-9-14(21)10-8-13)25-19(18)27(26-12)15-5-3-2-4-6-15/h2-11H,1H3
InChIKey CSXJTSRNGFWZBF-UHFFFAOYSA-N
Mol Weight 404.25 g/mol
Molecular Formula C20H13Cl2F2N3
Exact Mass 403.045459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44EbMm3IQu2
Name 4-(Chlorodifluoromethyl)-6-(4-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C20H13Cl2F2N3
InChI InChI=1S/C20H13Cl2F2N3/c1-12-18-16(20(22,23)24)11-17(13-7-9-14(21)10-8-13)25-19(18)27(26-12)15-5-3-2-4-6-15/h2-11H,1H3
InChIKey CSXJTSRNGFWZBF-UHFFFAOYSA-N
Molecular Weight 404.248 g/mol
SMILES c12[n](nc(c2c(C(F)(F)Cl)cc(n1)-c1ccc(cc1)Cl)C)-c1ccccc1
SPLASH splash10-0zfr-0000900000-31678375a1034c42e28c
Source of Spectrum F-67-5669-7c
Wiley ID 1687130