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4,4,5,5,5-PENTAFLUORO-1-(4-CHLOROPHENYL)-3-HYDROXY-1-PENTANONE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4,4,5,5,5-PENTAFLUORO-1-(4-CHLOROPHENYL)-3-HYDROXY-1-PENTANONE
SpectraBase Compound ID BepMcjKep67
InChI InChI=1S/C11H8ClF5O2/c12-7-3-1-6(2-4-7)8(18)5-9(19)10(13,14)11(15,16)17/h1-4,9,19H,5H2
InChIKey HJFDIKJBJCULQO-UHFFFAOYSA-N
Mol Weight 302.63 g/mol
Molecular Formula C11H8ClF5O2
Exact Mass 302.013298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5x7G9XhM1O
Name 4,4,5,5,5-PENTAFLUORO-1-(4-CHLOROPHENYL)-3-HYDROXY-1-PENTANONE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H8ClF5O2
InChI InChI=1S/C11H8ClF5O2/c12-7-3-1-6(2-4-7)8(18)5-9(19)10(13,14)11(15,16)17/h1-4,9,19H,5H2
InChIKey HJFDIKJBJCULQO-UHFFFAOYSA-N
Literature Reference Author K.FUNABIKI,K.MATSUNAGA,M.NOJIRI,W.HASHIMOTO,H.YAMAMOTO,K.SHI BATA,M.MATSUI
Literature Reference Citation J.ORG.CHEM.,68,2853(2003)
Literature Reference DOI 10.1021/jo026697j
Molecular Weight 302.628 g/mol
Solvent CDCl3
Source File Reference UWSI22720