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[1-(4-Nitrophenyl)-1,2-ethylenedithiolato][(.eta.5)-cyclopentadieny]cobalt(III)]
SpectraBase Compound ID 4Tk45uOSvEg
InChI InChI=1S/C8H7NO2S2.C5H5.Co/c10-9(11)7-3-1-6(2-4-7)8(13)5-12;1-2-4-5-3-1;/h1-5,12-13H;1-5H;/q;;+2/p-2/b8-5-;;
InChIKey MOLSEFVMLLUWKF-XTKZWJJBSA-L
Mol Weight 335.28 g/mol
Molecular Formula C13H10CoNO2S2
Exact Mass 334.94849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xLfKXRZSG6
Name [1-(4-Nitrophenyl)-1,2-ethylenedithiolato][(.eta.5)-cyclopentadieny]cobalt(III)]
Comments Less than 3 mono-isotopic peaks
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Formula C13H10CoNO2S2
InChI InChI=1S/C8H7NO2S2.C5H5.Co/c10-9(11)7-3-1-6(2-4-7)8(13)5-12;1-2-4-5-3-1;/h1-5,12-13H;1-5H;/q;;+2/p-2/b8-5-;;
InChIKey MOLSEFVMLLUWKF-XTKZWJJBSA-L
Molecular Weight 335.281 g/mol
SMILES [C@]12([Co]3456([C@]2([C@@]6([C@@]4([C@]13[H])[H])[H])[H])SC(c1ccc(N(=O)=O)cc1)=CS5)[H]
SPLASH splash10-000i-0905000000-a6e7cd60a03d4817ae7f
Source of Spectrum AJ-71-2353-2
Synonyms [1-(4-Nitrophenyl)-1,2-ethylenediyhioato][(.eta.5)-cyclopentadieny]cobalt(III)] 3-(4-nitrophenyl)-2,5-dithia-1-cobaltaspiro[cyclopentane-1,1'-pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan]-3-ene
Wiley ID 774706