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

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[(5-ETA-C5H5)2ZR(P(C6H2-2,4,6-TERT.-BUTYL3)CME=CPH)]
SpectraBase Compound ID CVxcuuDLsjh
InChI InChI=1S/C27H37P.2C5H.Zr/c1-19(16-20-14-12-11-13-15-20)28-24-22(26(5,6)7)17-21(25(2,3)4)18-23(24)27(8,9)10;2*1-2-4-5-3-1;/h11-15,17-18H,1-10H3;2*1H;/q-1;;;+1
InChIKey AGAVTYRJLZEIQI-UHFFFAOYSA-N
Mol Weight 605.9 g/mol
Molecular Formula C37H39PZr
Exact Mass 604.183637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4lMrz1V2LH
Name [(5-ETA-C5H5)2ZR(P(C6H2-2,4,6-TERT.-BUTYL3)CME=CPH)]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H39PZr
InChI InChI=1S/C27H37P.2C5H.Zr/c1-19(16-20-14-12-11-13-15-20)28-24-22(26(5,6)7)17-21(25(2,3)4)18-23(24)27(8,9)10;2*1-2-4-5-3-1;/h11-15,17-18H,1-10H3;2*1H;/q-1;;;+1
InChIKey AGAVTYRJLZEIQI-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
Molecular Weight 605.910 g/mol
Sample ID 56305
Solvent C6D6