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4-(5-HYDROXY-3-PHENYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-7-CHLOROQUINOLINE
SpectraBase Compound ID HbrLJNQOLFc
InChI InChI=1S/C19H13ClF3N3O/c20-13-6-7-14-15(10-13)24-9-8-17(14)26-18(27,19(21,22)23)11-16(25-26)12-4-2-1-3-5-12/h1-10,27H,11H2
InChIKey GVHJGAFWVWTQQX-UHFFFAOYSA-N
Mol Weight 391.78 g/mol
Molecular Formula C19H13ClF3N3O
Exact Mass 391.069924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJibqaERtVR
Name 4-(5-HYDROXY-3-PHENYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-7-CHLOROQUINOLINE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H13ClF3N3O
InChI InChI=1S/C19H13ClF3N3O/c20-13-6-7-14-15(10-13)24-9-8-17(14)26-18(27,19(21,22)23)11-16(25-26)12-4-2-1-3-5-12/h1-10,27H,11H2
InChIKey GVHJGAFWVWTQQX-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 391.780 g/mol
Sample ID 61021
Solvent DMSO-D6