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(+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-ALPHA-[4',5'-DIMETHOXYPHENYL-2'-(METHOXYMETHYL)-PHENYL]-2,5-BETA-DIMETHOXY-1,3-CYCLOHEXADIENE]-IRON-(0)

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(+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-ALPHA-[4',5'-DIMETHOXYPHENYL-2'-(METHOXYMETHYL)-PHENYL]-2,5-BETA-DIMETHOXY-1,3-CYCLOHEXADIENE]-IRON-(0)
SpectraBase Compound ID DDMeGqirf7F
InChI InChI=1S/C18H21O5.3CO.Fe/c1-19-12-13-10-16(21-3)17(22-4)11-15(13)18(23-5)8-6-14(20-2)7-9-18;3*1-2;/h10-11H,8,12H2,1-5H3;;;;/t18-;;;;/m0..../s1
InChIKey CPMIBHNJPFRGIU-DEXDRMDJSA-N
Mol Weight 457.24 g/mol
Molecular Formula C21H21FeO8
Exact Mass 457.058579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bqCqcbBTIG
Name (+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-ALPHA-[4',5'-DIMETHOXYPHENYL-2'-(METHOXYMETHYL)-PHENYL]-2,5-BETA-DIMETHOXY-1,3-CYCLOHEXADIENE]-IRON-(0)
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21FeO8
InChI InChI=1S/C18H21O5.3CO.Fe/c1-19-12-13-10-16(21-3)17(22-4)11-15(13)18(23-5)8-6-14(20-2)7-9-18;3*1-2;/h10-11H,8,12H2,1-5H3;;;;/t18-;;;;/m0..../s1
InChIKey CPMIBHNJPFRGIU-DEXDRMDJSA-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 457.240 g/mol
Solvent CDCl3
Source File Reference UWLU84044