SpectraBase Spectrum ID |
Ex1untd62UK |
Name |
6-(2-Bromophenyl)-4-(perfluoroethyl)-2-phenyl-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 |
483.000565800 u |
Formula |
C20H11BrF5N3O |
InChI |
InChI=1S/C20H11BrF5N3O/c21-14-9-5-4-8-12(14)15-10-13(19(22,23)20(24,25)26)16-17(27-15)28-29(18(16)30)11-6-2-1-3-7-11/h1-10H,(H,27,28) |
InChIKey |
XVOOLOIBIUFAPJ-UHFFFAOYSA-N |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/ejoc.201800163 |
Molecular Weight |
484.224 g/mol |
Quality |
294 |
Reported Formula |
C20H11BrF5N3O |
SMILES |
N1C2=NC(=CC(=C2C(N1C1=CC=CC=C1)=O)C(C(F)(F)F)(F)F)C1=CC=CC=C1Br |
SPLASH |
splash10-0040-2000900000-7a1bda687c3d27c9e246 |
Source of Spectrum |
K1-2018-2640-2s (DOI: 10.1002/ejoc.201800163) |
Wiley ID |
1891667 |