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

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4,4,5,5,5-PENTAFLUORO-1-(4-METHYLPHENYL)-3-HYDROXY-1-PENTANONE
SpectraBase Compound ID B98WVXYKfWV
InChI InChI=1S/C12H11F5O2/c1-7-2-4-8(5-3-7)9(18)6-10(19)11(13,14)12(15,16)17/h2-5,10,19H,6H2,1H3
InChIKey DZTLZEXYHSOZQW-UHFFFAOYSA-N
Mol Weight 282.21 g/mol
Molecular Formula C12H11F5O2
Exact Mass 282.06792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvKv3m11135
Name 4,4,5,5,5-PENTAFLUORO-1-(4-METHYLPHENYL)-3-HYDROXY-1-PENTANONE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11F5O2
InChI InChI=1S/C12H11F5O2/c1-7-2-4-8(5-3-7)9(18)6-10(19)11(13,14)12(15,16)17/h2-5,10,19H,6H2,1H3
InChIKey DZTLZEXYHSOZQW-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 282.210 g/mol
Solvent CDCl3
Source File Reference UWSI22719