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(Sp)-[2-(Isopropylsulfanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methanone
SpectraBase Compound ID JZYmoEWkj5n
InChI InChI=1S/C15H16OS2.2C5H5.2Fe/c1-10(2)18-14-9-5-7-12(14)15(16)11-6-4-8-13(11)17-3;2*1-2-4-5-3-1;;/h4-10H,1-3H3;2*1-5H;;
InChIKey ROBWVNGNKCGBAE-UHFFFAOYSA-N
Mol Weight 518.29 g/mol
Molecular Formula C25H26Fe2OS2
Exact Mass 518.01238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8p25M9sh9V1
Name (Sp)-[2-(Isopropylsulfanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methanone
Comments Less than 3 mono-isotopic peaks
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Formula C25H26Fe2OS2
InChI InChI=1S/C15H16OS2.2C5H5.2Fe/c1-10(2)18-14-9-5-7-12(14)15(16)11-6-4-8-13(11)17-3;2*1-2-4-5-3-1;;/h4-10H,1-3H3;2*1-5H;;
InChIKey ROBWVNGNKCGBAE-UHFFFAOYSA-N
Molecular Weight 518.292 g/mol
SMILES C12([Fe]3456789(C2C5C4C13SC(C)C)C1C6C7C8C91)C(C12[Fe]3456789(C%10C7C6C5C3%10)C1C9C4C28SC)=O
SPLASH splash10-014i-0000090000-ac788e2b2c1143b4cb79
Source of Spectrum U1-2009-2154-7e
Wiley ID 1662865