For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-(Perfluoroethyl)-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID Lruf8E8IIVm
InChI InChI=1S/C20H12F5N3O/c21-19(22,20(23,24)25)14-11-15(12-7-3-1-4-8-12)26-17-16(14)18(29)28(27-17)13-9-5-2-6-10-13/h1-11H,(H,26,27)
InChIKey MZDYONUILPAQRL-UHFFFAOYSA-N
Mol Weight 405.33 g/mol
Molecular Formula C20H12F5N3O
Exact Mass 405.090053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID E8BGbm00fkY
Name 4-(Perfluoroethyl)-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.090052832 u
Formula C20H12F5N3O
InChI InChI=1S/C20H12F5N3O/c21-19(22,20(23,24)25)14-11-15(12-7-3-1-4-8-12)26-17-16(14)18(29)28(27-17)13-9-5-2-6-10-13/h1-11H,(H,26,27)
InChIKey MZDYONUILPAQRL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 405.328 g/mol
Quality 130
Reported Formula C20H12F5N3O
SMILES N1N(C(C=2C1=NC(=CC2C(C(F)(F)F)(F)F)C1=CC=CC=C1)=O)C1=CC=CC=C1
SPLASH splash10-0a4i-1002900000-655a9b6e8dc891bb4ab9
Source of Spectrum K1-2018-2639-2m (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891662