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(Sp)-[2-(1-Boranato-1,1-diisopropylphosphanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methanone
SpectraBase Compound ID 42uIKDMouae
InChI InChI=1S/C18H26BOPS.2C5H5.2Fe/c1-12(2)21(19,13(3)4)16-10-6-8-14(16)18(20)15-9-7-11-17(15)22-5;2*1-2-4-5-3-1;;/h6-13,21H,19H2,1-5H3;2*1-5H;;
InChIKey IKBADUWRHYCRRD-UHFFFAOYSA-N
Mol Weight 574.1 g/mol
Molecular Formula C28H36BFe2OPS
Exact Mass 574.101626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeXyiFO3l1K
Name (Sp)-[2-(1-Boranato-1,1-diisopropylphosphanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methanone
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Formula C28H36BFe2OPS
InChI InChI=1S/C18H26BOPS.2C5H5.2Fe/c1-12(2)21(19,13(3)4)16-10-6-8-14(16)18(20)15-9-7-11-17(15)22-5;2*1-2-4-5-3-1;;/h6-13,21H,19H2,1-5H3;2*1-5H;;
InChIKey IKBADUWRHYCRRD-UHFFFAOYSA-N
Molecular Weight 574.129 g/mol
SMILES P(C12[Fe]3456789(C1(C(C1%10[Fe]%11%12%13%14%15%16%17(C%18C%12C%16C%15C%14%18)C%10C%17C%13C1%11SC)=O)C6C8C27)C1C3C5C9C41)(B)(C(C)C)C(C)C
SPLASH splash10-00r2-0000890000-6914e1486efa85535f0c
Source of Spectrum U1-2009-2155-7g
Wiley ID 1662864