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[[(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(PH)-C-(CN)(2)-H]-[CF3COO]
SpectraBase Compound ID BDKfkOyZY4Z
InChI InChI=1S/2C18H15P.C11H6N2.C5H.C2HF3O2.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(11(7-12)8-13)10-5-3-2-4-6-10;1-2-4-5-3-1;3-2(4,5)1(6)7;/h2*1-15H;2-6,11H;1H;(H,6,7);/q;;;;;-1/p+1
InChIKey VUSNTEARULZMHB-UHFFFAOYSA-O
Mol Weight 967.933 g/mol
Molecular Formula C54H39F3N2O2P2Ru
Exact Mass 968.148227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DumPMnAdU5Y
Name [[(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(PH)-C-(CN)(2)-H]-[CF3COO]
Compound Number 2M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H37F3N2O2P2Ru
InChI InChI=1S/2C18H15P.C11H6N2.C5H.C2HF3O2.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(11(7-12)8-13)10-5-3-2-4-6-10;1-2-4-5-3-1;3-2(4,5)1(6)7;/h2*1-15H;2-6,11H;1H;(H,6,7);/q;;;;;-1/p+1
InChIKey VUSNTEARULZMHB-UHFFFAOYSA-O
Literature Reference Author P.C.TING,Y.C.LIN,G.H.LEE,M.C.CHENG,Y.WANG
Literature Reference Citation J.AM.CHEM.SOC.,118,6433(1996)
Literature Reference DOI 10.1021/ja960001k
Molecular Weight 965.913 g/mol
Sample ID 36755
Solvent CDCl3