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[(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-(CME2)-P(H)PH)_TICL2]_RUCL2]
SpectraBase Compound ID CVi11Q6R4sP
InChI InChI=1S/C14H14P.C10H13.C5H3.4ClH.Ru.Ti/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;1-8(2)10-6-4-9(3)5-7-10;1-2-4-5-3-1;;;;;;/h3-8,10-11H,1-2H3;4,6-8H,1-3H3;1-2,5H;4*1H;;/q-1;;;;;;;+3;+2/p-4
InChIKey PSPKODWVDAFKED-UHFFFAOYSA-J
Mol Weight 700.3 g/mol
Molecular Formula C29H30Cl4PRuTi
Exact Mass 698.936205 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmFhoe8ctkk
Name [(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-(CME2)-P(H)PH)_TICL2]_RUCL2]
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30Cl4PRuTi
InChI InChI=1S/C14H14P.C10H13.C5H3.4ClH.Ru.Ti/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;1-8(2)10-6-4-9(3)5-7-10;1-2-4-5-3-1;;;;;;/h3-8,10-11H,1-2H3;4,6-8H,1-3H3;1-2,5H;4*1H;;/q-1;;;;;;;+3;+2/p-4
InChIKey PSPKODWVDAFKED-UHFFFAOYSA-J
Literature Reference Author F.PELLETIER,V.COMTE,A.MASSARD,M.WENZEL,S.TOULOT,P.RICHARD,M. PICQUET,P.LEGENDRE,O
Literature Reference Citation J.MED.CHEM.,53,6923(2010)
Literature Reference DOI 10.1021/jm1004804
Solvent CDCl3
Source File Reference UWMZ40506