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(.eta.(5)-cyclopentadienyl)(trifluorocarbonyloxy)[di(methoxycarbonyl)-1-methylthio-.xi.S-ethylene-2-thiolato]cobalt(III)
SpectraBase Compound ID LCureE12NK7
InChI InChI=1S/C7H10O4S2.C5H5.C2HF3O2.Co/c1-10-6(8)4(12)5(13-3)7(9)11-2;1-2-4-5-3-1;3-2(4,5)1(6)7;/h12H,1-3H3;1-5H;(H,6,7);/q;;;+2/p-2/b5-4-;;;
InChIKey YWEUYCALEXVTQU-OAWHIZORSA-L
Mol Weight 459.32 g/mol
Molecular Formula C14H15CoF3O6S2
Exact Mass 458.959409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOvNOEPBKAS
Name (.eta.(5)-cyclopentadienyl)(trifluorocarbonyloxy)[di(methoxycarbonyl)-1-methylthio-.xi.S-ethylene-2-thiolato]cobalt(III)
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Formula C14H14CoF3O6S2
InChI InChI=1S/C7H10O4S2.C5H5.C2HF3O2.Co/c1-10-6(8)4(12)5(13-3)7(9)11-2;1-2-4-5-3-1;3-2(4,5)1(6)7;/h12H,1-3H3;1-5H;(H,6,7);/q;;;+2/p-2/b5-4-;;;
InChIKey YWEUYCALEXVTQU-OAWHIZORSA-L
Molecular Weight 459.316 g/mol
SMILES S1(C(=C(S[Co]11234([C@]5([C@@]4([C@@]3([C@@]1([C@@]25[H])[H])[H])[H])[H])OC(C(F)(F)F)=O)C(=O)OC)C(=O)OC)C
SPLASH splash10-001a-0809000000-795031b1f7db155368df
Source of Spectrum AJ-71-2651-3
Synonyms 3,4-Dimethyl 2-methyl-1-[(2,2,2-trifluoroacetyl)oxy]-2,5-dithia-1-cobaltaspiro[cyclopentane-1,1'-pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan]-3-ene-3,4-dicarboxylate
Wiley ID 774671