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1-Carbomethoxy-1'-diphenylphosphinoferrocene
SpectraBase Compound ID S80HemHdnK
InChI InChI=1S/C17H14P.C7H7O2.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9-7(8)6-4-2-3-5-6;/h1-13,17H;2-4,6H,1H3;
InChIKey HVYDITWHFVTVNH-UHFFFAOYSA-N
Mol Weight 428.25 g/mol
Molecular Formula C24H21FeO2P
Exact Mass 428.062853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrZ1zM9ZaBl
Name 1-Carbomethoxy-1'-diphenylphosphinoferrocene
Alternate Name(s) 1-Diphenyl-1'-[methoxycarbonyl]phosphinoferrocene [5-(diphenylphosphino)-1,3-cyclopentadien-1-yl][5-(methoxycarbonyl)-1,3-cyclopentadien-1-yl]iron
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Formula C24H21FeO2P
InChI InChI=1S/C17H14P.C7H7O2.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9-7(8)6-4-2-3-5-6;/h1-13,17H;2-4,6H,1H3;
InChIKey HVYDITWHFVTVNH-UHFFFAOYSA-N
Molecular Weight 428.249 g/mol
SMILES C=1(C(C(=O)OC)C=CC1)[Fe]C=1C(P(c2ccccc2)c2ccccc2)C=CC1
SPLASH splash10-004i-1655900000-b42930014d2f12d07759
Source of Spectrum O-33-740-5
Wiley ID 763235