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1-Methoxy-2,5-bis(trifluoromethylsulfonyl)ferrocene
SpectraBase Compound ID IBYZug4kLg6
InChI InChI=1S/C8H5F6O5S2.C5H5.Fe/c1-19-6-4(20(15,16)7(9,10)11)2-3-5(6)21(17,18)8(12,13)14;1-2-4-5-3-1;/h2-3H,1H3;1-5H;/q2*-1;+2
InChIKey UJPDGDGZSCXINN-UHFFFAOYSA-N
Mol Weight 480.174 g/mol
Molecular Formula C13H10F6FeO5S2
Exact Mass 479.922321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DB1AZ3NqLQy
Name 1-Methoxy-2,5-bis(trifluoromethylsulfonyl)ferrocene
Alternate Name(s) Iron(II) 2-methoxy-1,3-bis((trifluoromethyl)sulfonyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
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Formula C13H10F6FeO5S2
InChI InChI=1S/C8H5F6O5S2.C5H5.Fe/c1-19-6-4(20(15,16)7(9,10)11)2-3-5(6)21(17,18)8(12,13)14;1-2-4-5-3-1;/h2-3H,1H3;1-5H;/q2*-1;+2
InChIKey UJPDGDGZSCXINN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000068
Molecular Weight 480.174 g/mol
SMILES [c-]1(S(=O)(=O)C(F)(F)F)c(c(cc1)S(C(F)(F)F)(=O)=O)OC.c1[cH-]ccc1.[Fe+2]
SPLASH splash10-0089-1730900000-c369f80d18d96dc7270d
Source of Spectrum ASC-352-1353-15
Wiley ID 1764479