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(Ferrocenyl) bis(ferrocenylcarboxylate)
SpectraBase Compound ID LK38TX0gEpM
InChI InChI=1S/2C11H8O2.2C5H5.3Fe/c2*12-11(9-5-1-2-6-9)13-10-7-3-4-8-10;2*1-2-4-5-3-1;;;/h2*1-8H;2*1-5H;;;
InChIKey JAZCXBWBLZDXOR-UHFFFAOYSA-N
Mol Weight 642.1 g/mol
Molecular Formula C32H26Fe3O4
Exact Mass 641.987917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UIptGgEEi9
Name (Ferrocenyl) bis(ferrocenylcarboxylate)
Alternate Name(s) bis(Ferrocenyl) ferrocene-di(carboxylate)
Comments Less than 3 mono-isotopic peaks
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Formula C32H26Fe3O4
InChI InChI=1S/2C11H8O2.2C5H5.3Fe/c2*12-11(9-5-1-2-6-9)13-10-7-3-4-8-10;2*1-2-4-5-3-1;;;/h2*1-8H;2*1-5H;;;
InChIKey JAZCXBWBLZDXOR-UHFFFAOYSA-N
Molecular Weight 642.092 g/mol
SMILES C12([Fe]3456789(C2C5C4C13)C1(C(OC23[Fe]45%10%11%12%13%14(C%15C%14C%13C%12C%11%15)C3C%10C5C24)=O)C9C8C7C61)C(OC12[Fe]3456789(C%10C5C7C6C3%10)C2C9C4C18)=O
SPLASH splash10-0006-0000509000-8d6ef03ae156fe191784
Source of Spectrum AG-556-173-0
Wiley ID 1412711