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TRICARBONYL-[(1,2,3,4,5-ETA)-1-ETHOXYCARBONYLMETHYL-2-METHOXYCYCLOHEXADIENYL]-IRON(1+)-TETRAFLUOROBORATE(1-)
SpectraBase Compound ID 1uqrf62RAGw
InChI InChI=1S/C11H13O3.3CHO.BF4.Fe/c1-3-14-11(12)8-9-6-4-5-7-10(9)13-2;3*1-2;2-1(3,4)5;/h4H,3,6,8H2,1-2H3;3*1H;;/q;;;;-1;+1
InChIKey OIHVWOBNPALGQN-UHFFFAOYSA-N
Mol Weight 422.92 g/mol
Molecular Formula C14H16BF4FeO6
Exact Mass 423.032542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHeNzrCOyMx
Name TRICARBONYL-[(1,2,3,4,5-ETA)-1-ETHOXYCARBONYLMETHYL-2-METHOXYCYCLOHEXADIENYL]-IRON(1+)-TETRAFLUOROBORATE(1-)
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16BF4FeO6
InChI InChI=1S/C11H13O3.3CHO.BF4.Fe/c1-3-14-11(12)8-9-6-4-5-7-10(9)13-2;3*1-2;2-1(3,4)5;/h4H,3,6,8H2,1-2H3;3*1H;;/q;;;;-1;+1
InChIKey OIHVWOBNPALGQN-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 422.928 g/mol
Solvent CD3CN
Source File Reference UWBT20592