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[(ETA(5)-C5H5)-(PPH3)(2)-RU]-C=C(PH)-C-(CN)(2)

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[(ETA(5)-C5H5)-(PPH3)(2)-RU]-C=C(PH)-C-(CN)(2)
SpectraBase Compound ID 6ba0de7Luqt
InChI InChI=1S/2C18H15P.C11H5N2.C5H.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-7-11(8-13)6-10(11)9-4-2-1-3-5-9;1-2-4-5-3-1;/h2*1-15H;1-5H;1H;/q;;;;-2/p+2
InChIKey PMHUMEJHTMDBNT-UHFFFAOYSA-P
Mol Weight 853.9 g/mol
Molecular Formula C52H38N2P2Ru
Exact Mass 854.155363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPm6UhJso3E
Name [(ETA(5)-C5H5)-(PPH3)(2)-RU]-C=C(PH)-C-(CN)(2)
Compound Number 3M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H36N2P2Ru
InChI InChI=1S/2C18H15P.C11H5N2.C5H.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-7-11(8-13)6-10(11)9-4-2-1-3-5-9;1-2-4-5-3-1;/h2*1-15H;1-5H;1H;/q;;;;-2/p+2
InChIKey PMHUMEJHTMDBNT-UHFFFAOYSA-P
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 851.889 g/mol
Sample ID 36754
Solvent CDCl3