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6-[4-(Difluoromethoxy)phenyl]-2-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID DSTu39O8srk
InChI InChI=1S/C20H12F5N3O2/c21-19(22)30-13-8-6-11(7-9-13)15-10-14(20(23,24)25)16-17(26-15)27-28(18(16)29)12-4-2-1-3-5-12/h1-10,19H,(H,26,27)
InChIKey UNGFKUXITNZDPF-UHFFFAOYSA-N
Mol Weight 421.33 g/mol
Molecular Formula C20H12F5N3O2
Exact Mass 421.084967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fAMoK5qtY
Name 6-[4-(Difluoromethoxy)phenyl]-2-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.084967451 u
Formula C20H12F5N3O2
InChI InChI=1S/C20H12F5N3O2/c21-19(22)30-13-8-6-11(7-9-13)15-10-14(20(23,24)25)16-17(26-15)27-28(18(16)29)12-4-2-1-3-5-12/h1-10,19H,(H,26,27)
InChIKey UNGFKUXITNZDPF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 421.327 g/mol
Quality 176
Reported Formula C20H12F5N3O2
SMILES N1N(C(C=2C1=NC(=CC2C(F)(F)F)C1=CC=C(C=C1)OC(F)F)=O)C1=CC=CC=C1
SPLASH splash10-00di-5002900000-0849dee7f1a47968f6d0
Source of Spectrum K1-2018-2638-2h (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891657