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[5-ETA-(1-PH2P-2,4-PH2)-C5H2]-(CO)3-MO-PD-(PPH3)C-CPH
SpectraBase Compound ID 3jaaBkPg5Yx
InChI InChI=1S/C29H21P.C18H15P.C8H5.3CO.Mo.Pd/c1-5-13-23(14-6-1)25-21-28(24-15-7-2-8-16-24)29(22-25)30(26-17-9-3-10-18-26)27-19-11-4-12-20-27;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;3*1-2;;/h1-20,30H;1-15H;3-7H;;;;;/q+1;;;;;;;-2/p+1
InChIKey YSWAGXKICLPPGK-UHFFFAOYSA-O
Mol Weight 1051.3 g/mol
Molecular Formula C58H42MoO3P2Pd
Exact Mass 1052.069803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmCUz7cQBxR
Name [5-ETA-(1-PH2P-2,4-PH2)-C5H2]-(CO)3-MO-PD-(PPH3)C-CPH
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H40MoO3P2Pd
InChI InChI=1S/C29H21P.C18H15P.C8H5.3CO.Mo.Pd/c1-5-13-23(14-6-1)25-21-28(24-15-7-2-8-16-24)29(22-25)30(26-17-9-3-10-18-26)27-19-11-4-12-20-27;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;3*1-2;;/h1-20,30H;1-15H;3-7H;;;;;/q+1;;;;;;;-2/p+1
InChIKey YSWAGXKICLPPGK-UHFFFAOYSA-O
Literature Reference Author A.RICCI,F.ANGELUCCI,M.BASSETTI,C.L.STERZO
Literature Reference Citation J.AM.CHEM.SOC.,124,1060(2002)
Literature Reference DOI 10.1021/ja011644p
Molecular Weight 1049.261 g/mol
Sample ID 47610
Solvent DMF-D7