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3-[(2,5-DIFLUOROPHENYL)-[[3-(1,1,2,2-TETRAFLUOROETHOXY-PHENYL]-METHYL]-AMINO]-1,1,1-TRIFLUORO-2-PROPANOL
SpectraBase Compound ID CfMeM0vKjqX
InChI InChI=1S/C18H14F9NO2/c19-11-4-5-13(20)14(7-11)28(9-15(29)17(23,24)25)8-10-2-1-3-12(6-10)30-18(26,27)16(21)22/h1-7,15-16,29H,8-9H2
InChIKey IOAWOIBOHZNVGN-UHFFFAOYSA-N
Mol Weight 447.3 g/mol
Molecular Formula C18H14F9NO2
Exact Mass 447.088082 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zNOrgB9hBf
Name 3-[(2,5-DIFLUOROPHENYL)-[[3-(1,1,2,2-TETRAFLUOROETHOXY-PHENYL]-METHYL]-AMINO]-1,1,1-TRIFLUORO-2-PROPANOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14F9NO2
InChI InChI=1S/C18H14F9NO2/c19-11-4-5-13(20)14(7-11)28(9-15(29)17(23,24)25)8-10-2-1-3-12(6-10)30-18(26,27)16(21)22/h1-7,15-16,29H,8-9H2
InChIKey IOAWOIBOHZNVGN-UHFFFAOYSA-N
Literature Reference Author R.C.DURLEY,M.L.GRAPPERHAUS,B.S.HICKORY,M.A.MASSA,J.L.WANG,D. P.SPANGLER,D.A.MISCH
Literature Reference Citation J.MED.CHEM.,45,3891(2002)
Literature Reference DOI 10.1021/jm020038h
Solvent CDCl3
Source File Reference UWLU65726