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

View entire compound with spectra: 2 NMR

[(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(PH)-CH-(CN)-TCNQ
SpectraBase Compound ID 4Cw3pRxDPDd
InChI InChI=1S/C22H11N5.2C18H15P.C5H.Ru/c1-16(17-5-3-2-4-6-17)21(13-25)22(14-26,15-27)20-9-7-18(8-10-20)19(11-23)12-24;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;/h2-10,19,21H;2*1-15H;1H;/q;;;;-1/p+2
InChIKey GUYJBCBEIGYKIR-UHFFFAOYSA-P
Mol Weight 1034.1 g/mol
Molecular Formula C63H44N5P2Ru
Exact Mass 1034.211535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7USBzavkg3b
Name [(ETA(5)-C5H5)-(PPH3)(2)-RU]=C=C(PH)-CH-(CN)-TCNQ
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H42N5P2Ru
InChI InChI=1S/C22H11N5.2C18H15P.C5H.Ru/c1-16(17-5-3-2-4-6-17)21(13-25)22(14-26,15-27)20-9-7-18(8-10-20)19(11-23)12-24;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;/h2-10,19,21H;2*1-15H;1H;/q;;;;-1/p+2
InChIKey GUYJBCBEIGYKIR-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 1032.077 g/mol
Sample ID 36747
Solvent CDCl3