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(.eta.(5)-cyclopentadienyl)(bromo)[di(methoxycarbonyl)-1-methylthio-.xi.S-ethylene-2-thiolato]cobalt(III)
SpectraBase Compound ID JTxSeOP08VX
InChI InChI=1S/C7H10O4S2.C5H5.BrH.Co/c1-10-6(8)4(12)5(13-3)7(9)11-2;1-2-4-5-3-1;;/h12H,1-3H3;1-5H;1H;/q;;;+2/p-2/b5-4-;;;
InChIKey ZPYXSQXSMKQSRS-OAWHIZORSA-L
Mol Weight 426.21 g/mol
Molecular Formula C12H15BrCoO4S2
Exact Mass 424.892708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H19ku7yjzbV
Name (.eta.(5)-cyclopentadienyl)(bromo)[di(methoxycarbonyl)-1-methylthio-.xi.S-ethylene-2-thiolato]cobalt(III)
Alternate Name(s) 3,4-Dimethyl 1-bromo-2-methyl-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14BrCoO4S2
InChI InChI=1S/C7H10O4S2.C5H5.BrH.Co/c1-10-6(8)4(12)5(13-3)7(9)11-2;1-2-4-5-3-1;;/h12H,1-3H3;1-5H;1H;/q;;;+2/p-2/b5-4-;;;
InChIKey ZPYXSQXSMKQSRS-OAWHIZORSA-L
Molecular Weight 426.205 g/mol
SMILES S1(C(=C(S[Co]11234([C@]5([C@@]4([C@@]3([C@@]1([C@@]25[H])[H])[H])[H])[H])Br)C(=O)OC)C(=O)OC)C
SPLASH splash10-0019-0906000000-c6f1b4f986a640ccd63a
Source of Spectrum AJ-71-2651-3
Wiley ID 774672