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4-[3-(4-BIPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID 3w1ieadyCPV
InChI InChI=1S/C25H17ClF3N3O/c26-19-10-11-20-21(14-19)30-13-12-23(20)32-24(33,25(27,28)29)15-22(31-32)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,33H,15H2
InChIKey ZKKJNQIXZJYUGV-UHFFFAOYSA-N
Mol Weight 467.88 g/mol
Molecular Formula C25H17ClF3N3O
Exact Mass 467.101224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQqUiBm6diW
Name 4-[3-(4-BIPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
Compound Number 2I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H17ClF3N3O
InChI InChI=1S/C25H17ClF3N3O/c26-19-10-11-20-21(14-19)30-13-12-23(20)32-24(33,25(27,28)29)15-22(31-32)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,33H,15H2
InChIKey ZKKJNQIXZJYUGV-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 467.878 g/mol
Sample ID 61028
Solvent DMSO-D6