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2,5-Bis(trifluoromethylsulfonyl)ferrocenol
SpectraBase Compound ID HSaPFViHTs0
InChI InChI=1S/C7H3F6O5S2.C5H5.Fe/c8-6(9,10)19(15,16)3-1-2-4(5(3)14)20(17,18)7(11,12)13;1-2-4-5-3-1;/h1-2,14H;1-5H;/q2*-1;+2
InChIKey HUNPIMBGOHXBBI-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 CeZkWWvce9H
Name 2,5-Bis(trifluoromethylsulfonyl)ferrocenol
Alternate Name(s) Iron(II) 2-hydroxy-1,3-bis((trifluoromethyl)sulfonyl)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(15,16)3-1-2-4(5(3)14)20(17,18)7(11,12)13;1-2-4-5-3-1;/h1-2,14H;1-5H;/q2*-1;+2
InChIKey HUNPIMBGOHXBBI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000068
Molecular Weight 466.147 g/mol
SMILES Oc1[c-](S(=O)(=O)C(F)(F)F)ccc1S(C(F)(F)F)(=O)=O.c1[cH-]ccc1.[Fe+2]
SPLASH splash10-0002-2701900000-d174cf5d4f42a9ff457d
Source of Spectrum ASC-352-1353-14
Wiley ID 1764478