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

*Links on SpectraBase are not permalinks.
1H-pyrazolo[3,4-b]pyridine, 1-[(4-chlorophenyl)methyl]-3-[4-(1,1-dimethylethyl)phenyl]-6-(2-thienyl)-4-(trifluoromethyl)-
SpectraBase Compound ID L599n5CDlQI
InChI InChI=1S/C28H23ClF3N3S/c1-27(2,3)19-10-8-18(9-11-19)25-24-21(28(30,31)32)15-22(23-5-4-14-36-23)33-26(24)35(34-25)16-17-6-12-20(29)13-7-17/h4-15H,16H2,1-3H3
InChIKey GJDRKWLGNZFDDV-UHFFFAOYSA-N
Mol Weight 526.02 g/mol
Molecular Formula C28H23ClF3N3S
Exact Mass 525.125331 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 72hAV03rngV
Name 3-(4-tert-butylphenyl)-1-(4-chlorobenzyl)-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23ClF3N3S
InChI InChI=1S/C28H23ClF3N3S/c1-27(2,3)19-10-8-18(9-11-19)25-24-21(28(30,31)32)15-22(23-5-4-14-36-23)33-26(24)35(34-25)16-17-6-12-20(29)13-7-17/h4-15H,16H2,1-3H3
InChIKey GJDRKWLGNZFDDV-UHFFFAOYSA-N
Molecular Weight 526.021 g/mol
SMILES c12c([n](Cc3ccc(cc3)Cl)nc1-c1ccc(C(C)(C)C)cc1)nc(cc2C(F)(F)F)-c1sccc1
SPLASH splash10-004i-3920020000-26e32eae6c320562ae17
Synonyms 3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine 3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Wiley ID 1439358