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11-(6,6-DIHYDROXY-7,7,7-TRIFLUOROHEPTAN-1-YL)-AMINOCYCLOHEPTA-[B]-QUINOLINE
SpectraBase Compound ID 12UmeORZXqi
InChI InChI=1S/C21H27F3N2O2/c22-21(23,24)20(27,28)13-7-2-8-14-25-19-15-9-3-1-4-11-17(15)26-18-12-6-5-10-16(18)19/h5-6,10,12,27-28H,1-4,7-9,11,13-14H2,(H,25,26)
InChIKey NVOLHYFQYNFBIO-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C21H27F3N2O2
Exact Mass 396.202463 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWnwZug0Cas
Name 11-(6,6-DIHYDROXY-7,7,7-TRIFLUOROHEPTAN-1-YL)-AMINOCYCLOHEPTA-[B]-QUINOLINE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27F3N2O2
InChI InChI=1S/C21H27F3N2O2/c22-21(23,24)20(27,28)13-7-2-8-14-25-19-15-9-3-1-4-11-17(15)26-18-12-6-5-10-16(18)19/h5-6,10,12,27-28H,1-4,7-9,11,13-14H2,(H,25,26)
InChIKey NVOLHYFQYNFBIO-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 UWSI45278