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(2RS,5SR,6SR,2E,4E)-Tricarbonyl-[.eta(4).-(2->5)-6-(phenylthio)hepta-2,4-diene-1-nitrile]-iron
SpectraBase Compound ID 9KONQcn0y2F
InChI InChI=1S/C13H13NS.3CO.Fe/c1-12(8-4-3-7-11-14)15-13-9-5-2-6-10-13;3*1-2;/h2-10,12H,1H3;;;;/t12-;;;;/m1..../s1
InChIKey XKELIRNGTKJHQD-HHUWXINPSA-N
Mol Weight 355.19 g/mol
Molecular Formula C16H13FeNO3S
Exact Mass 354.99655 g/mol
Enantiomer InChIKey XKELIRNGTKJHQD-KCOFNFEMSA-N
Racemate InChIKey XKELIRNGTKJHQD-UHFFFAOYSA-N
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