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HEXACARBONYL-(MY-1,2-CYCLOOCTANEDITHIOLATO-S,S)-DIIRON
SpectraBase Compound ID 6XPVzFUGK0C
InChI InChI=1S/C8H14S2.6CO.2Fe/c9-7-5-3-1-2-4-6-8(7)10;6*1-2;;/h7-8H,1-6H2;;;;;;;;/t7-,8+;;;;;;;;
InChIKey JKBNYGQUNCUSJJ-VPEXZCSDSA-N
Mol Weight 454.07 g/mol
Molecular Formula C14H14Fe2O6S2
Exact Mass 453.893053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dViQPjANHG
Name HEXACARBONYL-(MY-1,2-CYCLOOCTANEDITHIOLATO-S,S)-DIIRON
CAS Registry Number 127946-81-0
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14Fe2O6S2
InChI InChI=1S/C8H14S2.6CO.2Fe/c9-7-5-3-1-2-4-6-8(7)10;6*1-2;;/h7-8H,1-6H2;;;;;;;;/t7-,8+;;;;;;;;
InChIKey JKBNYGQUNCUSJJ-VPEXZCSDSA-N
Literature Reference Author A.KRAMER,R.LINGNAU,I.P.LORENZ,H.A.MAYER
Literature Reference Citation CHEM.BER.,123,1821(1990)
Literature Reference DOI 10.1002/cber.19901230911
Molecular Weight 454.076 g/mol
Solvent CDCl3
Source File Reference UWCS13537