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(R,R)-1,1'-Bis(5-ferrocenylthiazolin-2-yl)ferrocene

View entire compound with spectra: 2 MS (GC)

(R,R)-1,1'-Bis(5-ferrocenylthiazolin-2-yl)ferrocene
SpectraBase Compound ID 5abXlm5mkUH
InChI InChI=1S/2C13H11NS.2C5H5.3Fe/c2*1-2-6-10(5-1)12-9-14-13(15-12)11-7-3-4-8-11;2*1-2-4-5-3-1;;;/h2*1-8,12H,9H2;2*1-5H;;;/t2*12-;;;;;/m10...../s1
InChIKey KKKWQBPVRDPQOU-KMCWRYEWSA-N
Mol Weight 724.3 g/mol
Molecular Formula C36H32Fe3N2S2
Exact Mass 724.005499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kzAFb0USZw
Name (R,R)-1,1'-Bis(5-ferrocenylthiazolin-2-yl)ferrocene
Alternate Name(s) bis[5'-(Ferrocenyl)thiazolin-2'-yl]-ferrocene (5S)-5-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane]-6-yl}-2-{2'-[(5R)-5-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane]-6-yl}-4,5-dihydro-1,3-thiazol-2-yl]-1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane]-2-yl}-4,5-dihydro-1,3-thiazole
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Formula C36H32Fe3N2S2
InChI InChI=1S/2C13H11NS.2C5H5.3Fe/c2*1-2-6-10(5-1)12-9-14-13(15-12)11-7-3-4-8-11;2*1-2-4-5-3-1;;;/h2*1-8,12H,9H2;2*1-5H;;;/t2*12-;;;;;/m10...../s1
InChIKey KKKWQBPVRDPQOU-KMCWRYEWSA-N
Molecular Weight 724.322 g/mol
SMILES C12([Fe]3456789(C2C5C4C13)C1(C=2SC(C34[Fe]5%10%11%12%13%14%15(C%16C%15C%14C%13C%12%16)C4C5C%10C3%11)CN2)C9C8C7C61)C=1SC(C23[Fe]456789%10(C%11C4C7C5C%10%11)C3C6C9C28)CN1
SPLASH splash10-022i-0393300600-5534aa3dbe3f6dc18713
Source of Spectrum D1-2002-438-10
Wiley ID 1548075