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[[(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(PH)-CH2CN]-[PF6]

View entire compound with spectra: 2 NMR

[[(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(PH)-CH2CN]-[PF6]
SpectraBase Compound ID EZmQFABNqfK
InChI InChI=1S/2C18H15P.C10H7N.C5H.F6P.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(7-8-11)10-5-3-2-4-6-10;1-2-4-5-3-1;1-7(2,3,4,5)6;/h2*1-15H;2-6H,7H2;1H;;/q;;;;2*-1/p+2
InChIKey IILDIXXBYGYWKF-UHFFFAOYSA-P
Mol Weight 974.9 g/mol
Molecular Formula C51H40F6NP3Ru
Exact Mass 975.13212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbPW6C3x4AJ
Name [[(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(PH)-CH2CN]-[PF6]
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H38F6NP3Ru
InChI InChI=1S/2C18H15P.C10H7N.C5H.F6P.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(7-8-11)10-5-3-2-4-6-10;1-2-4-5-3-1;1-7(2,3,4,5)6;/h2*1-15H;2-6H,7H2;1H;;/q;;;;2*-1/p+2
InChIKey IILDIXXBYGYWKF-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 972.851 g/mol
Sample ID 36731
Solvent ACETONE-D6