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(E,Z,E)-3,4-DIETHOXY-1,6-BIS-(FERROCENYL)-1,3,5-HEXATRIENE;MAJOR-ISOMER
SpectraBase Compound ID GQwJFkxhVRB
InChI InChI=1S/C20H16O2.2C5H.2Fe/c1-3-21-19(15-13-17-9-5-6-10-17)20(22-4-2)16-14-18-11-7-8-12-18;2*1-2-4-5-3-1;;/h9,11,13-16H,3-4H2,1-2H3;2*1H;;/b15-13+,16-14+,20-19-;;;;
InChIKey UMEPCJCWKBJDGR-BXCVQJPMSA-N
Mol Weight 522.16 g/mol
Molecular Formula C30H18Fe2O2
Exact Mass 522.000552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbTr2uav3Iu
Name (E,Z,E)-3,4-DIETHOXY-1,6-BIS-(FERROCENYL)-1,3,5-HEXATRIENE;MAJOR-ISOMER
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H18Fe2O2
InChI InChI=1S/C20H16O2.2C5H.2Fe/c1-3-21-19(15-13-17-9-5-6-10-17)20(22-4-2)16-14-18-11-7-8-12-18;2*1-2-4-5-3-1;;/h9,11,13-16H,3-4H2,1-2H3;2*1H;;/b15-13+,16-14+,20-19-;;;;
InChIKey UMEPCJCWKBJDGR-BXCVQJPMSA-N
Literature Reference Author M.A.SIERRA,J.C.D.AMO,M.J.MANCHENO,M.GOMEZ-GALLEGO
Literature Reference Citation J.AM.CHEM.SOC.,123,851(2001)
Literature Reference DOI 10.1021/ja002497i
Molecular Weight 522.166 g/mol
Solvent CDCl3
Source File Reference UWLU30546