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1-CHLORO-11-(6,6-DIHYDROXY-7,7,7-TRIFLUOROHEPTAN-1-YL)-AMINOCYCLOHEPTA-[B]-QUINOLINE
SpectraBase Compound ID 3REbBAikjvb
InChI InChI=1S/C21H26ClF3N2O2/c22-15-9-7-11-17-18(15)19(14-8-3-1-4-10-16(14)27-17)26-13-6-2-5-12-20(28,29)21(23,24)25/h7,9,11,28-29H,1-6,8,10,12-13H2,(H,26,27)
InChIKey YTLVVJVRXFGCBL-UHFFFAOYSA-N
Mol Weight 430.9 g/mol
Molecular Formula C21H26ClF3N2O2
Exact Mass 430.16349 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLJud4QsdcO
Name 1-CHLORO-11-(6,6-DIHYDROXY-7,7,7-TRIFLUOROHEPTAN-1-YL)-AMINOCYCLOHEPTA-[B]-QUINOLINE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26ClF3N2O2
InChI InChI=1S/C21H26ClF3N2O2/c22-15-9-7-11-17-18(15)19(14-8-3-1-4-10-16(14)27-17)26-13-6-2-5-12-20(28,29)21(23,24)25/h7,9,11,28-29H,1-6,8,10,12-13H2,(H,26,27)
InChIKey YTLVVJVRXFGCBL-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 CD3OD
Source File Reference UWSI45277