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(+/-)-TRICARBONYL-[(1,2,3,4,5-ETA)-1-[2'-(ACETOXYMETHYL)-4',5'-DIMETHOXYPHENYL]-4-METHOXY-2,4-CYCLOHEXADIENYL]-IRON-HEXAFLUOROPHOSPHATE

View entire compound with spectra: 1 NMR

(+/-)-TRICARBONYL-[(1,2,3,4,5-ETA)-1-[2'-(ACETOXYMETHYL)-4',5'-DIMETHOXYPHENYL]-4-METHOXY-2,4-CYCLOHEXADIENYL]-IRON-HEXAFLUOROPHOSPHATE
SpectraBase Compound ID GSDVPddAthY
InChI InChI=1S/C18H18O5.3CO.F6P.Fe/c1-12(19)23-11-14-9-17(21-3)18(22-4)10-16(14)13-5-7-15(20-2)8-6-13;3*1-2;1-7(2,3,4,5)6;/h9-10H,5,11H2,1-4H3;;;;;/q;;;;-1;+1
InChIKey QTXBWHDJWOZXKU-UHFFFAOYSA-N
Mol Weight 599.18 g/mol
Molecular Formula C21H18F6FeO8P
Exact Mass 598.999285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96OS6xiUlhL
Name (+/-)-TRICARBONYL-[(1,2,3,4,5-ETA)-1-[2'-(ACETOXYMETHYL)-4',5'-DIMETHOXYPHENYL]-4-METHOXY-2,4-CYCLOHEXADIENYL]-IRON-HEXAFLUOROPHOSPHATE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18F6FeO8P
InChI InChI=1S/C18H18O5.3CO.F6P.Fe/c1-12(19)23-11-14-9-17(21-3)18(22-4)10-16(14)13-5-7-15(20-2)8-6-13;3*1-2;1-7(2,3,4,5)6;/h9-10H,5,11H2,1-4H3;;;;;/q;;;;-1;+1
InChIKey QTXBWHDJWOZXKU-UHFFFAOYSA-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 599.180 g/mol
Solvent ACETONE-D6
Source File Reference UWLU84046