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4-AMINO-5-CHLORO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLOXYMETHYL)-QUINOLINE;HYDRATED-KETONE
SpectraBase Compound ID HGMorwNaJqN
InChI InChI=1S/C20H18ClF3N2O3/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-29-9-12-4-2-5-13(8-12)19(27,28)20(22,23)24/h2-8,27-28H,9-10H2,1H3,(H2,25,26)
InChIKey SHVXQWGRTWJQNN-UHFFFAOYSA-N
Mol Weight 426.82 g/mol
Molecular Formula C20H18ClF3N2O3
Exact Mass 426.095805 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Hfqv25J1s4
Name 4-AMINO-5-CHLORO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLOXYMETHYL)-QUINOLINE;HYDRATED-KETONE
Compound Number 23B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18ClF3N2O3
InChI InChI=1S/C20H18ClF3N2O3/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-29-9-12-4-2-5-13(8-12)19(27,28)20(22,23)24/h2-8,27-28H,9-10H2,1H3,(H2,25,26)
InChIKey SHVXQWGRTWJQNN-UHFFFAOYSA-N
Literature Reference Author C.DOUCET-PERSONENI,P.D.BENTLEY,R.J.FLETCHER,A.KINKAID,G.KRYG ER,B.PIRARD,A.TAYLOR
Literature Reference Citation J.MED.CHEM.,44,3203(2001)
Literature Reference DOI 10.1021/jm010826r
Solvent DMSO-D6
Source File Reference UWSI45284