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4-[3-(4-BROMOLPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID 4c1CeWE4UdT
InChI InChI=1S/C19H12BrClF3N3O/c20-12-3-1-11(2-4-12)16-10-18(28,19(22,23)24)27(26-16)17-7-8-25-15-9-13(21)5-6-14(15)17/h1-9,28H,10H2
InChIKey HIIZYULEWVDCPP-UHFFFAOYSA-N
Mol Weight 470.68 g/mol
Molecular Formula C19H12BrClF3N3O
Exact Mass 468.980437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69Qm4anDLyd
Name 4-[3-(4-BROMOLPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H12BrClF3N3O
InChI InChI=1S/C19H12BrClF3N3O/c20-12-3-1-11(2-4-12)16-10-18(28,19(22,23)24)27(26-16)17-7-8-25-15-9-13(21)5-6-14(15)17/h1-9,28H,10H2
InChIKey HIIZYULEWVDCPP-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 470.676 g/mol
Sample ID 61025
Solvent DMSO-D6