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(+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-ALPHA-(3',4'-DIMETHOXYPHENYL)-2,5-BETA-DIMETHOXY-1,3-CYCLOHEXADIENE]-IRON-(0)
SpectraBase Compound ID CJf3ERoNywd
InChI InChI=1S/C16H17O4.3CO.Fe/c1-17-13-7-9-16(20-4,10-8-13)12-5-6-14(18-2)15(11-12)19-3;3*1-2;/h5-6,11H,9H2,1-4H3;;;;/t16-;;;;/m1..../s1
InChIKey BLIYAYDBBCDPPT-XIYRCBLHSA-N
Mol Weight 413.18 g/mol
Molecular Formula C19H17FeO7
Exact Mass 413.032364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fm8aW96MpP
Name (+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-ALPHA-(3',4'-DIMETHOXYPHENYL)-2,5-BETA-DIMETHOXY-1,3-CYCLOHEXADIENE]-IRON-(0)
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17FeO7
InChI InChI=1S/C16H17O4.3CO.Fe/c1-17-13-7-9-16(20-4,10-8-13)12-5-6-14(18-2)15(11-12)19-3;3*1-2;/h5-6,11H,9H2,1-4H3;;;;/t16-;;;;/m1..../s1
InChIKey BLIYAYDBBCDPPT-XIYRCBLHSA-N
Literature Reference Author G.R.STEPHENSON,C.E.ANSON.A.V.MALKOV,C.ROE
Literature Reference Citation EUR.J.ORG.CHEM.,2012,4716(2012)
Literature Reference DOI 10.1002/ejoc.201200687
Molecular Weight 413.187 g/mol
Solvent CDCl3
Source File Reference UWLU84047