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(+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-BETA-(3',4'-DIMETHOXYPHENYL)-2-METHOXY-5-ALPHA-[2''-(METHYLAMINO)-ETHYL]-1,3-CYCLOHEXADIENE]-IRON-(0)

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(+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-BETA-(3',4'-DIMETHOXYPHENYL)-2-METHOXY-5-ALPHA-[2''-(METHYLAMINO)-ETHYL]-1,3-CYCLOHEXADIENE]-IRON-(0)
SpectraBase Compound ID 582nesj9gYZ
InChI InChI=1S/C18H22NO3.3CO.Fe/c1-19-12-11-18(9-7-15(20-2)8-10-18)14-5-6-16(21-3)17(13-14)22-4;3*1-2;/h5-6,13,19H,9,11-12H2,1-4H3;;;;/t18-;;;;/m0..../s1
InChIKey QKQACXRIJQXHIR-DEXDRMDJSA-N
Mol Weight 440.25 g/mol
Molecular Formula C21H22FeNO6
Exact Mass 440.079648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ES9vkAV7J8p
Name (+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-BETA-(3',4'-DIMETHOXYPHENYL)-2-METHOXY-5-ALPHA-[2''-(METHYLAMINO)-ETHYL]-1,3-CYCLOHEXADIENE]-IRON-(0)
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22FeNO6
InChI InChI=1S/C18H22NO3.3CO.Fe/c1-19-12-11-18(9-7-15(20-2)8-10-18)14-5-6-16(21-3)17(13-14)22-4;3*1-2;/h5-6,13,19H,9,11-12H2,1-4H3;;;;/t18-;;;;/m0..../s1
InChIKey QKQACXRIJQXHIR-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 440.256 g/mol
Solvent CDCl3
Source File Reference UWLU84051