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4-[3-(4-FLUOROLPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID I6WnjIOi64J
InChI InChI=1S/C19H12ClF4N3O/c20-12-3-6-14-15(9-12)25-8-7-17(14)27-18(28,19(22,23)24)10-16(26-27)11-1-4-13(21)5-2-11/h1-9,28H,10H2
InChIKey OXGWWMGWNUGBGG-UHFFFAOYSA-N
Mol Weight 409.77 g/mol
Molecular Formula C19H12ClF4N3O
Exact Mass 409.060502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADKvbfqrsfQ
Name 4-[3-(4-FLUOROLPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H12ClF4N3O
InChI InChI=1S/C19H12ClF4N3O/c20-12-3-6-14-15(9-12)25-8-7-17(14)27-18(28,19(22,23)24)10-16(26-27)11-1-4-13(21)5-2-11/h1-9,28H,10H2
InChIKey OXGWWMGWNUGBGG-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 409.770 g/mol
Sample ID 61023
Solvent DMSO-D6