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4-(1,1-Difluorobut-3-enyl)-3-methyl-6-(4-chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID 7grZNXhMZ8x
InChI InChI=1S/C23H18ClF2N3/c1-3-13-23(25,26)19-14-20(16-9-11-17(24)12-10-16)27-22-21(19)15(2)28-29(22)18-7-5-4-6-8-18/h3-12,14H,1,13H2,2H3
InChIKey KKQJESCUOMNADT-UHFFFAOYSA-N
Mol Weight 409.87 g/mol
Molecular Formula C23H18ClF2N3
Exact Mass 409.115732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNu6vEuYDLj
Name 4-(1,1-Difluorobut-3-enyl)-3-methyl-6-(4-chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18ClF2N3
InChI InChI=1S/C23H18ClF2N3/c1-3-13-23(25,26)19-14-20(16-9-11-17(24)12-10-16)27-22-21(19)15(2)28-29(22)18-7-5-4-6-8-18/h3-12,14H,1,13H2,2H3
InChIKey KKQJESCUOMNADT-UHFFFAOYSA-N
Molecular Weight 409.868 g/mol
SMILES c12[n](nc(c2c(C(F)(F)CC=C)cc(n1)-c1ccc(cc1)Cl)C)-c1ccccc1
SPLASH splash10-0bt9-0002900000-dfaa464d7c9848b26ce1
Source of Spectrum F-67-5673-13c
Wiley ID 1713262