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[(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-PPH2)-TICL-(MY-CL)]-RUCL]-(BF4)
SpectraBase Compound ID Ifpt7c4DkpB
InChI InChI=1S/C17H13P.C10H13.C5H3.BF4.3ClH.Ru.Ti/c1-3-9-15(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;2-1(3,4)5;;;;;/h1-13H;4,6-8H,1-3H3;1-2,5H;;3*1H;;/q;;;-1;;;;2*+1/p-1
InChIKey ZYEZWTHYMYCDJN-UHFFFAOYSA-M
Mol Weight 787.7 g/mol
Molecular Formula C32H30BCl3F4PRuTi
Exact Mass 786.97027 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LumVQ1AmBHq
Name [(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-PPH2)-TICL-(MY-CL)]-RUCL]-(BF4)
Compound Number 14*BF4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H29BCl3F4PRuTi
InChI InChI=1S/C17H13P.C10H13.C5H3.BF4.3ClH.Ru.Ti/c1-3-9-15(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;2-1(3,4)5;;;;;/h1-13H;4,6-8H,1-3H3;1-2,5H;;3*1H;;/q;;;-1;;;;2*+1/p-1
InChIKey ZYEZWTHYMYCDJN-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 UWMZ40509