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2,6-Diphenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID 970gP1YEQvz
InChI InChI=1S/C19H12F3N3O/c20-19(21,22)14-11-15(12-7-3-1-4-8-12)23-17-16(14)18(26)25(24-17)13-9-5-2-6-10-13/h1-11H,(H,23,24)
InChIKey FTWYAMBQJHDZFC-UHFFFAOYSA-N
Mol Weight 355.32 g/mol
Molecular Formula C19H12F3N3O
Exact Mass 355.093247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75yloHdZ7Fu
Name 2,6-Diphenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Green crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.093246506 u
Formula C19H12F3N3O
InChI InChI=1S/C19H12F3N3O/c20-19(21,22)14-11-15(12-7-3-1-4-8-12)23-17-16(14)18(26)25(24-17)13-9-5-2-6-10-13/h1-11H,(H,23,24)
InChIKey FTWYAMBQJHDZFC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 355.320 g/mol
Quality 293
Reported Formula C19H12F3N3O
SMILES N1N(C(C=2C1=NC(=CC2C(F)(F)F)C1=CC=CC=C1)=O)C1=CC=CC=C1
SPLASH splash10-0a4i-1009000000-6d63a2755db3dbf5db21
Source of Spectrum K1-2018-2637-2b (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891651