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

*Links on SpectraBase are not permalinks.
4-[5-HYDROXY-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID I2Ef8UiP9XS
InChI InChI=1S/C20H15ClF3N3O/c1-12-2-4-13(5-3-12)17-11-19(28,20(22,23)24)27(26-17)18-8-9-25-16-10-14(21)6-7-15(16)18/h2-10,28H,11H2,1H3
InChIKey QNPSRZTVXGKJAX-UHFFFAOYSA-N
Mol Weight 405.81 g/mol
Molecular Formula C20H15ClF3N3O
Exact Mass 405.085574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 3qApIkCxKzF
Name 4-[5-HYDROXY-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15ClF3N3O
InChI InChI=1S/C20H15ClF3N3O/c1-12-2-4-13(5-3-12)17-11-19(28,20(22,23)24)27(26-17)18-8-9-25-16-10-14(21)6-7-15(16)18/h2-10,28H,11H2,1H3
InChIKey QNPSRZTVXGKJAX-UHFFFAOYSA-N
Literature Reference Author H.G.BONACORSO,C.A.CECHINEL,M.R.OLIVIERA,M.B.COSTA,M.A.P.MART INS,N.ZANATTA,A.F.C.
Literature Reference Citation J.HETCYCL.CHEM.,42,1055(2005)
Literature Reference DOI 10.1002/jhet.5570420604
Molecular Weight 405.807 g/mol
Sample ID 61022
Solvent DMSO-D6