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2-(Trifluoromethylsulfonyl)ferrocenyl Triflate
SpectraBase Compound ID KlVxxQvjSl6
InChI InChI=1S/C7H3F6O5S2.C5H5.Fe/c8-6(9,10)19(14,15)5-3-1-2-4(5)18-20(16,17)7(11,12)13;1-2-4-5-3-1;/h1-3H;1-5H;/q2*-1;+2
InChIKey OHSBIVGWUCCTGM-UHFFFAOYSA-N
Mol Weight 466.147 g/mol
Molecular Formula C12H8F6FeO5S2
Exact Mass 465.906671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GDQZTdHUPk
Name 2-(Trifluoromethylsulfonyl)ferrocenyl Triflate
Alternate Name(s) Iron(II) 3-((trifluoromethyl)sulfonyl)-2-(((trifluoromethyl)sulfonyl)oxy)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
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Formula C12H8F6FeO5S2
InChI InChI=1S/C7H3F6O5S2.C5H5.Fe/c8-6(9,10)19(14,15)5-3-1-2-4(5)18-20(16,17)7(11,12)13;1-2-4-5-3-1;/h1-3H;1-5H;/q2*-1;+2
InChIKey OHSBIVGWUCCTGM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000068
Molecular Weight 466.147 g/mol
SMILES c1(OS(=O)(=O)C(F)(F)F)[cH-]ccc1S(C(F)(F)F)(=O)=O.c1[cH-]ccc1.[Fe+2]
SPLASH splash10-01c0-5647900000-75dc680c07af92f30223
Source of Spectrum ASC-352-1353-13
Wiley ID 1764477