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[(5-ETA-C5H5)2ZR(OCME2P(C6H2-2,4,6-TERT.-BUTYL3)CPH=CPH)]
SpectraBase Compound ID 92yntZfpCxp
InChI InChI=1S/C35H45OP.2C5H.Zr/c1-32(2,3)27-23-28(33(4,5)6)31(29(24-27)34(7,8)9)37(35(10,11)36)30(26-20-16-13-17-21-26)22-25-18-14-12-15-19-25;2*1-2-4-5-3-1;/h12-21,23-24H,1-11H3;2*1H;/q-1;;;+1
InChIKey UOHNIXFWTFPBIR-UHFFFAOYSA-N
Mol Weight 726.1 g/mol
Molecular Formula C45H47OPZr
Exact Mass 724.241152 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XYojsuhTVs
Name [(5-ETA-C5H5)2ZR(OCME2P(C6H2-2,4,6-TERT.-BUTYL3)CPH=CPH)]
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H47OPZr
InChI InChI=1S/C35H45OP.2C5H.Zr/c1-32(2,3)27-23-28(33(4,5)6)31(29(24-27)34(7,8)9)37(35(10,11)36)30(26-20-16-13-17-21-26)22-25-18-14-12-15-19-25;2*1-2-4-5-3-1;/h12-21,23-24H,1-11H3;2*1H;/q-1;;;+1
InChIKey UOHNIXFWTFPBIR-UHFFFAOYSA-N
Literature Reference Author T.L.BEEN,D.W.STEPHAN
Literature Reference Citation J.AM.CHEM.SOC.,118,4204(1996)
Literature Reference DOI 10.1021/ja953470f
Solvent C6D6
Source File Reference UWLU56306