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QMOFOQPMGHJBFC-SEAGZNTESA-N
SpectraBase Compound ID KGvynwDBrLC
InChI InChI=1S/C21H22F3NO6/c1-3-30-16(26)9-10-19-11-15(19)20(17(27)29-2,21(22,23)24)25(13-19)18(28)31-12-14-7-5-4-6-8-14/h4-10,15H,3,11-13H2,1-2H3/b10-9+/t15-,19-,20?/m0/s1
InChIKey QMOFOQPMGHJBFC-SEAGZNTESA-N
Mol Weight 441.4 g/mol
Molecular Formula C21H22F3NO6
Exact Mass 441.139922 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3l8a0xZakRc
Name MAJOR-ROTAMER
Compound Number DIASTEREOISOMER-B-OF-#8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22F3NO6
InChI InChI=1S/C21H22F3NO6/c1-3-30-16(26)9-10-19-11-15(19)20(17(27)29-2,21(22,23)24)25(13-19)18(28)31-12-14-7-5-4-6-8-14/h4-10,15H,3,11-13H2,1-2H3/b10-9+/t15-,19-,20?/m0/s1
InChIKey QMOFOQPMGHJBFC-SEAGZNTESA-N
Literature Reference Author M.ECKERT,F.MONNIER,G.T.SHCHETNIKOV,I.D.TITANYUK,S.N.OSIPOV,L .TOUPET,S.DERIEN,P.H
Literature Reference Citation ORG.LETTERS,7,3741(2005)
Literature Reference DOI 10.1021/ol051393f
Solvent CDCl3
Source File Reference UWLU62670