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TRICARBONYL-[(1,2,3,4,5-ETA)-1-ETHOXYCARBONYLMETHYL-2-METHOXYCYCLOHEXADIENYL]-IRON(1+)-HEXAFLUOROPHOSPHATE(1-)
SpectraBase Compound ID BV2PlEZJuXj
InChI InChI=1S/C11H13O3.3CHO.F6P.Fe/c1-3-14-11(12)8-9-6-4-5-7-10(9)13-2;3*1-2;1-7(2,3,4,5)6;/h4H,3,6,8H2,1-2H3;3*1H;;/q;;;;-1;+1
InChIKey IXXHXPMJVAOXMR-UHFFFAOYSA-N
Mol Weight 481.09 g/mol
Molecular Formula C14H16F6FeO6P
Exact Mass 480.993805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgMhbqMM1ux
Name TRICARBONYL-[(1,2,3,4,5-ETA)-1-ETHOXYCARBONYLMETHYL-2-METHOXYCYCLOHEXADIENYL]-IRON(1+)-HEXAFLUOROPHOSPHATE(1-)
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16F6FeO6P
InChI InChI=1S/C11H13O3.3CHO.F6P.Fe/c1-3-14-11(12)8-9-6-4-5-7-10(9)13-2;3*1-2;1-7(2,3,4,5)6;/h4H,3,6,8H2,1-2H3;3*1H;;/q;;;;-1;+1
InChIKey IXXHXPMJVAOXMR-UHFFFAOYSA-N
Literature Reference Author G.R.STEPHENSON,I.M.PALOTAI,S.THOMAS,M.TINKL
Literature Reference Citation EUR.J.ORG.CHEM.,2013,1895(2013)
Literature Reference DOI 10.1002/ejoc.201201056
Molecular Weight 481.089 g/mol
Solvent CDCl3
Source File Reference UWBT20593