SpectraBase Spectrum ID |
IztGsplIXTZ |
Name |
6-(2-Bromophenyl)-4-(perfluoropropyl)-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 |
532.997372126 u |
Formula |
C21H11BrF7N3O |
InChI |
InChI=1S/C21H11BrF7N3O/c22-14-9-5-4-8-12(14)15-10-13(19(23,24)20(25,26)21(27,28)29)16-17(30-15)31-32(18(16)33)11-6-2-1-3-7-11/h1-10H,(H,30,31) |
InChIKey |
DAPZQZWXPDRFKG-UHFFFAOYSA-N |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/ejoc.201800163 |
Molecular Weight |
534.232 g/mol |
Quality |
217 |
Reported Formula |
C21H11BrF7N3O |
SMILES |
N1C2=NC(=CC(=C2C(N1C1=CC=CC=C1)=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC=CC=C1Br |
SPLASH |
splash10-0ug0-9000080000-558a3082fbfe526e4c53 |
Source of Spectrum |
K1-2018-2640-2t (DOI: 10.1002/ejoc.201800163) |
Wiley ID |
1891668 |