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[(5-ETA-C5H5)2ZR(OCHPHP(C6H2-2,4,6-TERT.-BUTYL3)CPH=CPH)]

View entire compound with spectra: 2 NMR

[(5-ETA-C5H5)2ZR(OCHPHP(C6H2-2,4,6-TERT.-BUTYL3)CPH=CPH)]
SpectraBase Compound ID 20QJB5FmUr2
InChI InChI=1S/C39H45OP.2C5H.Zr/c1-37(2,3)31-26-32(38(4,5)6)35(33(27-31)39(7,8)9)41(36(40)30-23-17-12-18-24-30)34(29-21-15-11-16-22-29)25-28-19-13-10-14-20-28;2*1-2-4-5-3-1;/h10-24,26-27,36H,1-9H3;2*1H;/q-1;;;+1/t36-,41?;;;/m0.../s1
InChIKey RAZAESTTXPIKIX-GBCFKFAESA-N
Mol Weight 774.1 g/mol
Molecular Formula C49H47OPZr
Exact Mass 772.241152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmdIHGmNr1w
Name [(5-ETA-C5H5)2ZR(OCHPHP(C6H2-2,4,6-TERT.-BUTYL3)CPH=CPH)]
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H47OPZr
InChI InChI=1S/C39H45OP.2C5H.Zr/c1-37(2,3)31-26-32(38(4,5)6)35(33(27-31)39(7,8)9)41(36(40)30-23-17-12-18-24-30)34(29-21-15-11-16-22-29)25-28-19-13-10-14-20-28;2*1-2-4-5-3-1;/h10-24,26-27,36H,1-9H3;2*1H;/q-1;;;+1/t36-,41?;;;/m0.../s1
InChIKey RAZAESTTXPIKIX-GBCFKFAESA-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
Molecular Weight 774.105 g/mol
Sample ID 56307
Solvent C6D6