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4,4-DIFLUORO-1-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-BUT-3-EN-1-ONE

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4,4-DIFLUORO-1-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-BUT-3-EN-1-ONE
SpectraBase Compound ID GfXEIYmqXIE
InChI InChI=1S/C12H9F5O/c1-7-2-4-8(5-3-7)10(18)6-9(11(13)14)12(15,16)17/h2-5H,6H2,1H3
InChIKey WCATYSGYBJRJDR-UHFFFAOYSA-N
Mol Weight 264.2 g/mol
Molecular Formula C12H9F5O
Exact Mass 264.057356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFG4eXE7F6c
Name 4,4-DIFLUORO-1-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-BUT-3-EN-1-ONE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9F5O
InChI InChI=1S/C12H9F5O/c1-7-2-4-8(5-3-7)10(18)6-9(11(13)14)12(15,16)17/h2-5H,6H2,1H3
InChIKey WCATYSGYBJRJDR-UHFFFAOYSA-N
Literature Reference Author K.BURGER,B.HELMREICH,L.HENNIG,J.SPENGLER,F.ALBERICIO,A.FUCHS
Literature Reference Citation MH.CHEM.,138,227(2007)
Literature Reference DOI 10.1007/s00706-007-0587-4
Molecular Weight 264.195 g/mol
Sample ID 68545
Solvent CDCl3