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HEXACARBONYL-(MY-3,5-CYCLOHEPTADIENE-1,2-DITHIOLATO-S,S)-DIIRON
SpectraBase Compound ID EaDJhYag8r0
InChI InChI=1S/C7H8S2.6CO.2Fe/c8-6-4-2-1-3-5-7(6)9;6*1-2;;/h1-4,6-7H,5H2;;;;;;;;/t6-,7+;;;;;;;;/m1......../s1
InChIKey QOANICLTIXLCEG-HTVAQIHQSA-N
Mol Weight 436.01 g/mol
Molecular Formula C13H8Fe2O6S2
Exact Mass 435.846102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUZDnpv4tfr
Name HEXACARBONYL-(MY-3,5-CYCLOHEPTADIENE-1,2-DITHIOLATO-S,S)-DIIRON
CAS Registry Number 127946-83-2
Compound Number 6B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H8Fe2O6S2
InChI InChI=1S/C7H8S2.6CO.2Fe/c8-6-4-2-1-3-5-7(6)9;6*1-2;;/h1-4,6-7H,5H2;;;;;;;;/t6-,7+;;;;;;;;/m1......../s1
InChIKey QOANICLTIXLCEG-HTVAQIHQSA-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 436.017 g/mol
Solvent CDCl3
Source File Reference UWCS13540