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4-AMINO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLOXYMETHYL)-QUINOLINE;FREE-KETONE
SpectraBase Compound ID BJbKpgxqmdS
InChI InChI=1S/C20H17F3N2O2/c1-12-8-16(24)18-15(6-3-7-17(18)25-12)11-27-10-13-4-2-5-14(9-13)19(26)20(21,22)23/h2-9H,10-11H2,1H3,(H2,24,25)
InChIKey FMEVMNGVPUQWSW-UHFFFAOYSA-N
Mol Weight 374.36 g/mol
Molecular Formula C20H17F3N2O2
Exact Mass 374.124212 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9edOulKRrwP
Name 4-AMINO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLOXYMETHYL)-QUINOLINE;FREE-KETONE
Compound Number 23C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17F3N2O2
InChI InChI=1S/C20H17F3N2O2/c1-12-8-16(24)18-15(6-3-7-17(18)25-12)11-27-10-13-4-2-5-14(9-13)19(26)20(21,22)23/h2-9H,10-11H2,1H3,(H2,24,25)
InChIKey FMEVMNGVPUQWSW-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 CDCl3
Source File Reference UWSI45285