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[(5-ETA-C5H5)2ZR(OCH2PHP(C6H2-2,4,6-TERT.-BUTYL3)CPH=CPH)]

View entire compound with spectra: 2 NMR

[(5-ETA-C5H5)2ZR(OCH2PHP(C6H2-2,4,6-TERT.-BUTYL3)CPH=CPH)]
SpectraBase Compound ID GKuwLo59OyV
InChI InChI=1S/C40H47OP.2C5H.Zr/c1-38(2,3)32-26-33(39(4,5)6)37(34(27-32)40(7,8)9)42(36(28-41)31-23-17-12-18-24-31)35(30-21-15-11-16-22-30)25-29-19-13-10-14-20-29;2*1-2-4-5-3-1;/h10-24,26-27,36H,28H2,1-9H3;2*1H;/q-1;;;+1/t36-,42?;;;/m1.../s1
InChIKey GYIJWOKAOCQSLM-MVEZUGNVSA-N
Mol Weight 788.1 g/mol
Molecular Formula C50H49OPZr
Exact Mass 786.256802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2103MQ8kGwn
Name [(5-ETA-C5H5)2ZR(OCH2PHP(C6H2-2,4,6-TERT.-BUTYL3)CPH=CPH)]
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H49OPZr
InChI InChI=1S/C40H47OP.2C5H.Zr/c1-38(2,3)32-26-33(39(4,5)6)37(34(27-32)40(7,8)9)42(36(28-41)31-23-17-12-18-24-31)35(30-21-15-11-16-22-30)25-29-19-13-10-14-20-29;2*1-2-4-5-3-1;/h10-24,26-27,36H,28H2,1-9H3;2*1H;/q-1;;;+1/t36-,42?;;;/m1.../s1
InChIKey GYIJWOKAOCQSLM-MVEZUGNVSA-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 788.132 g/mol
Sample ID 56308
Solvent C6D6