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4-[5-HYDROXY-3-(4-METHOXYPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID FjilAjEjxSa
InChI InChI=1S/C20H15ClF3N3O2/c1-29-14-5-2-12(3-6-14)17-11-19(28,20(22,23)24)27(26-17)18-8-9-25-16-10-13(21)4-7-15(16)18/h2-10,28H,11H2,1H3
InChIKey VSCIJHMMNMXEBH-UHFFFAOYSA-N
Mol Weight 421.81 g/mol
Molecular Formula C20H15ClF3N3O2
Exact Mass 421.080489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHHNt4joDU9
Name 4-[5-HYDROXY-3-(4-METHOXYPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15ClF3N3O2
InChI InChI=1S/C20H15ClF3N3O2/c1-29-14-5-2-12(3-6-14)17-11-19(28,20(22,23)24)27(26-17)18-8-9-25-16-10-13(21)4-7-15(16)18/h2-10,28H,11H2,1H3
InChIKey VSCIJHMMNMXEBH-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 421.806 g/mol
Sample ID 61026
Solvent DMSO-D6