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(E)-2-CYANO-1-(4-METHOXYPHENYL)-4,4,5,5,5-PENTAFLUORO-1-PENTEN-3-ONE

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(E)-2-CYANO-1-(4-METHOXYPHENYL)-4,4,5,5,5-PENTAFLUORO-1-PENTEN-3-ONE
SpectraBase Compound ID AEwwbWEd8gs
InChI InChI=1S/C13H8F5NO2/c1-21-10-4-2-8(3-5-10)6-9(7-19)11(20)12(14,15)13(16,17)18/h2-6H,1H3/b9-6+
InChIKey YKKXJFGRTNZBRC-RMKNXTFCSA-N
Mol Weight 305.2 g/mol
Molecular Formula C13H8F5NO2
Exact Mass 305.047519 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47E6PxzQcEW
Name (E)-2-CYANO-1-(4-METHOXYPHENYL)-4,4,5,5,5-PENTAFLUORO-1-PENTEN-3-ONE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H8F5NO2
InChI InChI=1S/C13H8F5NO2/c1-21-10-4-2-8(3-5-10)6-9(7-19)11(20)12(14,15)13(16,17)18/h2-6H,1H3/b9-6+
InChIKey YKKXJFGRTNZBRC-RMKNXTFCSA-N
Literature Reference Author M.YOSHIMATSU,Y.TIMURA
Literature Reference Citation J.ORG.CHEM.,67,5678(2002)
Literature Reference DOI 10.1021/jo0201880
Solvent Unknown
Source File Reference UWSI21655