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[(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-(CH2)4-PPH2)_TICL2]_RUCL2]
SpectraBase Compound ID 7bhfWxhVAVY
InChI InChI=1S/C21H21P.C10H13.C5H3.4ClH.Ru.Ti/c1-3-14-20(15-4-1)22(21-16-5-2-6-17-21)18-10-9-13-19-11-7-8-12-19;1-8(2)10-6-4-9(3)5-7-10;1-2-4-5-3-1;;;;;;/h1-8,11,14-17H,9-10,13,18H2;4,6-8H,1-3H3;1-2,5H;4*1H;;/q;;;;;;;+1;+2/p-3
InChIKey MNEZVFDFJKMOMA-UHFFFAOYSA-K
Mol Weight 792.4 g/mol
Molecular Formula C36H38Cl4PRuTi
Exact Mass 790.998805 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14QsN4s5Ja5
Name [(ETA-(6)-PARA-CYMENE-[(ETA-(5)-C5H5)-(MY-ETA-(5):KAPPA-(1)-C5H4-(CH2)4-PPH2)_TICL2]_RUCL2]
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H37Cl4PRuTi
InChI InChI=1S/C21H21P.C10H13.C5H3.4ClH.Ru.Ti/c1-3-14-20(15-4-1)22(21-16-5-2-6-17-21)18-10-9-13-19-11-7-8-12-19;1-8(2)10-6-4-9(3)5-7-10;1-2-4-5-3-1;;;;;;/h1-8,11,14-17H,9-10,13,18H2;4,6-8H,1-3H3;1-2,5H;4*1H;;/q;;;;;;;+1;+2/p-3
InChIKey MNEZVFDFJKMOMA-UHFFFAOYSA-K
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 UWMZ40505