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2-allyl-2-(3-phenylpropyl)malonic acid bis(2,2,2-trifluoroethyl) ester
SpectraBase Compound ID 4zaed6Gf7nl
InChI InChI=1S/C19H20F6O4/c1-2-10-17(15(26)28-12-18(20,21)22,16(27)29-13-19(23,24)25)11-6-9-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2
InChIKey BDYLYLNJDJDKAI-UHFFFAOYSA-N
Mol Weight 426.36 g/mol
Molecular Formula C19H20F6O4
Exact Mass 426.126578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fosTIQwzja
Name 2-allyl-2-(3-phenylpropyl)malonic acid bis(2,2,2-trifluoroethyl) ester
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20F6O4
InChI InChI=1S/C19H20F6O4/c1-2-10-17(15(26)28-12-18(20,21)22,16(27)29-13-19(23,24)25)11-6-9-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2
InChIKey BDYLYLNJDJDKAI-UHFFFAOYSA-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 426.356 g/mol
Sample ID 33036
Solvent CDCl3