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(Sp)-[2-(4-Methylphenylsulfanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methanone
SpectraBase Compound ID YVVON89dwT
InChI InChI=1S/C19H16OS2.2C5H5.2Fe/c1-13-9-11-14(12-10-13)22-18-8-4-6-16(18)19(20)15-5-3-7-17(15)21-2;2*1-2-4-5-3-1;;/h3-12H,1-2H3;2*1-5H;;
InChIKey KXRGGJOLQWNWHH-UHFFFAOYSA-N
Mol Weight 566.34 g/mol
Molecular Formula C29H26Fe2OS2
Exact Mass 566.01238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FQDG2mjM4V
Name (Sp)-[2-(4-Methylphenylsulfanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methanone
Comments Less than 3 mono-isotopic peaks
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Formula C29H26Fe2OS2
InChI InChI=1S/C19H16OS2.2C5H5.2Fe/c1-13-9-11-14(12-10-13)22-18-8-4-6-16(18)19(20)15-5-3-7-17(15)21-2;2*1-2-4-5-3-1;;/h3-12H,1-2H3;2*1-5H;;
InChIKey KXRGGJOLQWNWHH-UHFFFAOYSA-N
Molecular Weight 566.336 g/mol
SMILES C12([Fe]3456789(C1C5C9C23Sc1ccc(cc1)C)C1C6C7C8C41)C(C12[Fe]3456789(C%10C5C7C6C3%10)C2C9C4C18SC)=O
SPLASH splash10-014i-0000190000-fe24d320e8e36bf9e241
Source of Spectrum U1-2009-2154-7d
Wiley ID 1662866