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1-CHLORO-11-(2-TRIFLUOROACETYL-5-THIOPHENYLMETHYL)-AMINOCYCLOHEPTA-[B]-QUINOLINE
SpectraBase Compound ID 8CQgwjaPnv8
InChI InChI=1S/C21H18ClF3N2OS/c22-14-6-4-8-16-18(14)19(13-5-2-1-3-7-15(13)27-16)26-11-12-9-10-17(29-12)20(28)21(23,24)25/h4,6,8-10H,1-3,5,7,11H2,(H,26,27)
InChIKey QNPYGSSPRXBFQL-UHFFFAOYSA-N
Mol Weight 438.9 g/mol
Molecular Formula C21H18ClF3N2OS
Exact Mass 438.078047 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BO9dysPviYA
Name 1-CHLORO-11-(2-TRIFLUOROACETYL-5-THIOPHENYLMETHYL)-AMINOCYCLOHEPTA-[B]-QUINOLINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18ClF3N2OS
InChI InChI=1S/C21H18ClF3N2OS/c22-14-6-4-8-16-18(14)19(13-5-2-1-3-7-15(13)27-16)26-11-12-9-10-17(29-12)20(28)21(23,24)25/h4,6,8-10H,1-3,5,7,11H2,(H,26,27)
InChIKey QNPYGSSPRXBFQL-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 UWSI45276