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2-[(3E)-hexa-3,5-dienyl]-2-[(E)-3-tributylstannylprop-2-enyl]malonic acid bis(2,2,2-trifluoroethyl) ester
SpectraBase Compound ID ASsDWBdYqps
InChI InChI=1S/C16H17F6O4.3C4H9.Sn/c1-3-5-6-7-9-14(8-4-2,12(23)25-10-15(17,18)19)13(24)26-11-16(20,21)22;3*1-3-4-2;/h2-6H,1,7-11H2;3*1,3-4H2,2H3;/b4-2?,6-5+;;;;
InChIKey DONHKCCONNAAKH-NQWONLIPSA-N
Mol Weight 677.4 g/mol
Molecular Formula C28H44F6O4Sn
Exact Mass 678.216581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36CYdguRWec
Name 2-[(3E)-hexa-3,5-dienyl]-2-[(E)-3-tributylstannylprop-2-enyl]malonic acid bis(2,2,2-trifluoroethyl) ester
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44F6O4Sn
InChI InChI=1S/C16H17F6O4.3C4H9.Sn/c1-3-5-6-7-9-14(8-4-2,12(23)25-10-15(17,18)19)13(24)26-11-16(20,21)22;3*1-3-4-2;/h2-6H,1,7-11H2;3*1,3-4H2,2H3;/b4-2?,6-5+;;;;
InChIKey DONHKCCONNAAKH-NQWONLIPSA-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 677.335 g/mol
Sample ID 33037
Solvent CDCl3