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[(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-PPH2)-TICL-(MY-CL)]-RUCL]-(BPH4)
SpectraBase Compound ID hd49VdsmLr
InChI InChI=1S/C24H20B.C17H13P.C10H13.C5H3.3ClH.Ru.Ti/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-8(2)10-6-4-9(3)5-7-10;1-2-4-5-3-1;;;;;/h1-20H;1-13H;4,6-8H,1-3H3;1-2,5H;3*1H;;/q-1;;;;;;;2*+1/p-1
InChIKey PGULDBHTESOWME-UHFFFAOYSA-M
Mol Weight 1020.1 g/mol
Molecular Formula C56H50BCl3PRuTi
Exact Mass 1019.133158 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D58eVYQ9aye
Name [(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-PPH2)-TICL-(MY-CL)]-RUCL]-(BPH4)
Compound Number 14*BPH4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H49BCl3PRuTi
InChI InChI=1S/C24H20B.C17H13P.C10H13.C5H3.3ClH.Ru.Ti/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-8(2)10-6-4-9(3)5-7-10;1-2-4-5-3-1;;;;;/h1-20H;1-13H;4,6-8H,1-3H3;1-2,5H;3*1H;;/q-1;;;;;;;2*+1/p-1
InChIKey PGULDBHTESOWME-UHFFFAOYSA-M
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 CD2Cl2
Source File Reference UWMZ40510