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(Sp)-[2-(1-Boranato-1,1-dicyclohexylphosphanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methanone
SpectraBase Compound ID 53TMv0PkBia
InChI InChI=1S/C24H34BOPS.2C5H5.2Fe/c1-28-23-17-9-15-21(23)24(26)20-14-8-16-22(20)27(25,18-10-4-2-5-11-18)19-12-6-3-7-13-19;2*1-2-4-5-3-1;;/h8-9,14-19,27H,2-7,10-13,25H2,1H3;2*1-5H;;
InChIKey VXYXTTMSYGISFO-UHFFFAOYSA-N
Mol Weight 654.3 g/mol
Molecular Formula C34H44BFe2OPS
Exact Mass 654.164226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vwCAnnW2WF
Name (Sp)-[2-(1-Boranato-1,1-dicyclohexylphosphanyl)ferrocenyl]-(Sp)-[2-(methylsulfanyl)ferrocenyl]methanone
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Formula C34H44BFe2OPS
InChI InChI=1S/C24H34BOPS.2C5H5.2Fe/c1-28-23-17-9-15-21(23)24(26)20-14-8-16-22(20)27(25,18-10-4-2-5-11-18)19-12-6-3-7-13-19;2*1-2-4-5-3-1;;/h8-9,14-19,27H,2-7,10-13,25H2,1H3;2*1-5H;;
InChIKey VXYXTTMSYGISFO-UHFFFAOYSA-N
Molecular Weight 654.259 g/mol
SMILES P(C12[Fe]3456789(C1(C(C1%10[Fe]%11%12%13%14%15%16%17(C%18C%11C%16C%15C%14%18)C%10C%17C%13C1%12SC)=O)C8C6C27)C1C3C5C9C41)(B)(C1CCCCC1)C1CCCCC1
SPLASH splash10-004i-0000198000-8b77ebbd63537e17a702
Source of Spectrum U1-2009-2155-7h
Wiley ID 1662863