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1-(4'-METHYLQUINOLIN-2'-YL)-3-(PARA-BROMOPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-DELTA(2)-PYRAZOLINE
SpectraBase Compound ID KOH6k5S4Hbz
InChI InChI=1S/C20H15BrF3N3O/c1-12-10-18(25-16-5-3-2-4-15(12)16)27-19(28,20(22,23)24)11-17(26-27)13-6-8-14(21)9-7-13/h2-10,28H,11H2,1H3
InChIKey YNOCBHJYHAJDCG-UHFFFAOYSA-N
Mol Weight 450.26 g/mol
Molecular Formula C20H15BrF3N3O
Exact Mass 449.03506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CjyXeO4KffH
Name 1-(4'-METHYLQUINOLIN-2'-YL)-3-(PARA-BROMOPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-DELTA(2)-PYRAZOLINE
Compound Number 16D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15BrF3N3O
InChI InChI=1S/C20H15BrF3N3O/c1-12-10-18(25-16-5-3-2-4-15(12)16)27-19(28,20(22,23)24)11-17(26-27)13-6-8-14(21)9-7-13/h2-10,28H,11H2,1H3
InChIKey YNOCBHJYHAJDCG-UHFFFAOYSA-N
Literature Reference Author S.P.SINGH,V.KUMAR,R.AGGARWAL,J.ELGUERO
Literature Reference Citation J.HETCYCL.CHEM.,43,1003(2006)
Literature Reference DOI 10.1002/jhet.5570430428
Molecular Weight 450.258 g/mol
Sample ID 67648
Solvent CDCl3