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(E)-1,1,1-TRIFLUORO-4-[(1R)-1-PHENYLETHOXY]-BUT-3-EN-2-ONE
SpectraBase Compound ID 2BKkL3Axi5b
InChI InChI=1S/C12H11F3O2/c1-9(10-5-3-2-4-6-10)17-8-7-11(16)12(13,14)15/h2-9H,1H3/b8-7+/t9-/m0/s1
InChIKey LYKCNSQFSNHDJH-FLOXNTQESA-N
Mol Weight 244.21 g/mol
Molecular Formula C12H11F3O2
Exact Mass 244.071114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUu3z7F7eq4
Name (E)-1,1,1-TRIFLUORO-4-[(1R)-1-PHENYLETHOXY]-BUT-3-EN-2-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11F3O2
InChI InChI=1S/C12H11F3O2/c1-9(10-5-3-2-4-6-10)17-8-7-11(16)12(13,14)15/h2-9H,1H3/b8-7+/t9-/m0/s1
InChIKey LYKCNSQFSNHDJH-FLOXNTQESA-N
Literature Reference Author C.M.HAYMAN,L.R.HANTON,D.S.LARSEN,J.M.GUTHRIE
Literature Reference Citation AUSTR.J.CHEM.,52,921(1999)
Literature Reference DOI 10.1071/CH99067
Molecular Weight 244.213 g/mol
Solvent D2O
Source File Reference UWRU4947