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2-[(3E)-hexa-3,5-dienyl]malonic acid bis(2,2,2-trifluoroethyl) ester
SpectraBase Compound ID 4cccJU6OrPw
InChI InChI=1S/C13H14F6O4/c1-2-3-4-5-6-9(10(20)22-7-12(14,15)16)11(21)23-8-13(17,18)19/h2-4,9H,1,5-8H2/b4-3+
InChIKey DNTOUOXLYGHXBF-ONEGZZNKSA-N
Mol Weight 348.24 g/mol
Molecular Formula C13H14F6O4
Exact Mass 348.079628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sEU8B7XV8A
Name 2-[(3E)-hexa-3,5-dienyl]malonic acid bis(2,2,2-trifluoroethyl) ester
Compound Number 2L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14F6O4
InChI InChI=1S/C13H14F6O4/c1-2-3-4-5-6-9(10(20)22-7-12(14,15)16)11(21)23-8-13(17,18)19/h2-4,9H,1,5-8H2/b4-3+
InChIKey DNTOUOXLYGHXBF-ONEGZZNKSA-N
Literature Reference Author J.M.TAKACS,Z.XU,X.T.JIANG,A.P.LEONOV,G.C.THERIOT
Literature Reference Citation ORG.LETTERS,4,3843(2002)
Literature Reference DOI 10.1021/ol0266626
Molecular Weight 348.242 g/mol
Sample ID 33034
Solvent CDCl3