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4-(1,1-Difluorobut-3-enyl)-3-methyl-6-(4-methoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID 83AIZVznRlu
InChI InChI=1S/C24H21F2N3O/c1-4-14-24(25,26)20-15-21(17-10-12-19(30-3)13-11-17)27-23-22(20)16(2)28-29(23)18-8-6-5-7-9-18/h4-13,15H,1,14H2,2-3H3
InChIKey IPVYSYLWHBWJFI-UHFFFAOYSA-N
Mol Weight 405.45 g/mol
Molecular Formula C24H21F2N3O
Exact Mass 405.165269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYqtlkvgprj
Name 4-(1,1-Difluorobut-3-enyl)-3-methyl-6-(4-methoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21F2N3O
InChI InChI=1S/C24H21F2N3O/c1-4-14-24(25,26)20-15-21(17-10-12-19(30-3)13-11-17)27-23-22(20)16(2)28-29(23)18-8-6-5-7-9-18/h4-13,15H,1,14H2,2-3H3
InChIKey IPVYSYLWHBWJFI-UHFFFAOYSA-N
Molecular Weight 405.449 g/mol
SMILES c12[n](nc(c2c(C(F)(F)CC=C)cc(n1)-c1ccc(cc1)OC)C)-c1ccccc1
SPLASH splash10-0a4i-0002900000-9b889185a135daf61238
Source of Spectrum F-67-5672-13b
Wiley ID 1687210