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(Sp)-[2-(4-Methylphenylsulfanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methane
SpectraBase Compound ID GM5j0Azd1NN
InChI InChI=1S/C19H18S2.2C5H5.2Fe/c1-14-9-11-17(12-10-14)21-19-8-4-6-16(19)13-15-5-3-7-18(15)20-2;2*1-2-4-5-3-1;;/h3-12H,13H2,1-2H3;2*1-5H;;
InChIKey RFZKDXLQRUSWGG-UHFFFAOYSA-N
Mol Weight 552.35 g/mol
Molecular Formula C29H28Fe2S2
Exact Mass 552.033115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjXtomPv0fY
Name (Sp)-[2-(4-Methylphenylsulfanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methane
Comments Less than 3 mono-isotopic peaks
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Formula C29H28Fe2S2
InChI InChI=1S/C19H18S2.2C5H5.2Fe/c1-14-9-11-17(12-10-14)21-19-8-4-6-16(19)13-15-5-3-7-18(15)20-2;2*1-2-4-5-3-1;;/h3-12H,13H2,1-2H3;2*1-5H;;
InChIKey RFZKDXLQRUSWGG-UHFFFAOYSA-N
Molecular Weight 552.353 g/mol
SMILES C12([Fe]3456789(C1C5C9C23Sc1ccc(cc1)C)C1C6C7C8C41)CC12[Fe]3456789(C%10C5C7C6C3%10)C2C9C4C18SC
SPLASH splash10-0udi-0000090000-5bcdc055345bddd94e88
Source of Spectrum U1-2009-2155-8b
Wiley ID 1662861