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GSTBCGYZYCKVML-CDQUQZNPSA-L
SpectraBase Compound ID 20YZ69OjT6i
InChI InChI=1S/2C8H20N.C3H8S2.2CN.4CO.2Fe/c2*1-5-9(6-2,7-3)8-4;4-2-1-3-5;6*1-2;;/h2*5-8H2,1-4H3;4-5H,1-3H2;;;;;;;;/q2*+1;;;;;;;;;/p-2/i;;;2*1+1;;;;;;
InChIKey GSTBCGYZYCKVML-CDQUQZNPSA-L
Mol Weight 644.46 g/mol
Molecular Formula C2313C2H46Fe2N4O4S2
Exact Mass 644.17263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEC76fMJWqK
Name GSTBCGYZYCKVML-CDQUQZNPSA-L
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C2313C2H46Fe2N4O4S2
InChI InChI=1S/2C8H20N.C3H8S2.2CN.4CO.2Fe/c2*1-5-9(6-2,7-3)8-4;4-2-1-3-5;6*1-2;;/h2*5-8H2,1-4H3;4-5H,1-3H2;;;;;;;;/q2*+1;;;;;;;;;/p-2/i;;;2*1+1;;;;;;
InChIKey GSTBCGYZYCKVML-CDQUQZNPSA-L
Literature Reference Author F.GLOAGUEN,J.D.LAWRENCE,M.SCHMIDT,S.R.WILSON,T.B.RAUCHFUSS
Literature Reference Citation J.AM.CHEM.SOC.,123,12518(2001)
Literature Reference DOI 10.1021/ja016071v
Molecular Weight 644.463 g/mol
Solvent CD3OD
Source File Reference UWSI24103