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2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
SpectraBase Compound ID 9DcdxIASRxf
InChI InChI=1S/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3
InChIKey AFBDSAJOMZYQAI-UHFFFAOYSA-N
Mol Weight 437.36 g/mol
Molecular Formula C20H18F7NO2
Exact Mass 437.122576 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nQ8fO9TqSo
Name 2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18F7NO2
InChI InChI=1S/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3
InChIKey AFBDSAJOMZYQAI-UHFFFAOYSA-N
Literature Reference Author M.M.ZHAO,J.M.MCNAMARA,G.J.HO,K.M.EMERSON,Z.J.SONG,D.M.TSCHAE N,K.M.J.BRANDS,U.H.D
Literature Reference Citation J.ORG.CHEM.,67,6743(2002)
Literature Reference DOI 10.1021/jo0203793
Solvent DMSO-D6
Source File Reference UWSI22064