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[[(ETA(5)-C5H5)-(PPH3)(2)-RU]-C-C(PH)-C-(CN)]-[CF3COO]
SpectraBase Compound ID QZcbfLZcPG
InChI InChI=1S/2C18H15P.C10H8N.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;11-7-9-6-10(9)8-4-2-1-3-5-8;1-2-4-5-3-1;3-2(4,5)1(6)7;/h2*1-15H;1-6,9-10H;1H;(H,6,7);/q;;;;;-2/p+1
InChIKey DRYPMVFQHUSFHG-UHFFFAOYSA-O
Mol Weight 943.931 g/mol
Molecular Formula C53H41F3NO2P2Ru
Exact Mass 944.160803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ap3Oc3Ub7OZ
Name [[(ETA(5)-C5H5)-(PPH3)(2)-RU]-C-C(PH)-C-(CN)]-[CF3COO]
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H39F3NO2P2Ru
InChI InChI=1S/2C18H15P.C10H8N.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;11-7-9-6-10(9)8-4-2-1-3-5-8;1-2-4-5-3-1;3-2(4,5)1(6)7;/h2*1-15H;1-6,9-10H;1H;(H,6,7);/q;;;;;-2/p+1
InChIKey DRYPMVFQHUSFHG-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 941.911 g/mol
Sample ID 36751
Solvent CDCl3