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LITHIUM-(E)-1,4-DI-TERT.-BUTYL-2-[2-(1,3-DI-TERT.-BUTYL-6-PENTAFULVENYL)-VINYL]-CYCLOPENTADIENIDE
SpectraBase Compound ID KClOAtldJy4
InChI InChI=1S/C29H44.Li/c1-26(2,3)22-16-20(24(18-22)28(7,8)9)14-13-15-21-17-23(27(4,5)6)19-25(21)29(10,11)12;/h13-18H,19H2,1-12H3;/q;+1/b15-13+,20-14+;
InChIKey CJIABCSNVDJGFI-KKXSGVIBSA-N
Mol Weight 399.6 g/mol
Molecular Formula C29H44Li
Exact Mass 399.360305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSKP3VSgCl1
Name LITHIUM-(E)-1,4-DI-TERT.-BUTYL-2-[2-(1,3-DI-TERT.-BUTYL-6-PENTAFULVENYL)-VINYL]-CYCLOPENTADIENIDE
CAS Registry Number 125765-02-8
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44Li
InChI InChI=1S/C29H44.Li/c1-26(2,3)22-16-20(24(18-22)28(7,8)9)14-13-15-21-17-23(27(4,5)6)19-25(21)29(10,11)12;/h13-18H,19H2,1-12H3;/q;+1/b15-13+,20-14+;
InChIKey CJIABCSNVDJGFI-KKXSGVIBSA-N
Literature Reference Author M.EIERMANN,B.STOWASSER,K.HAFNER,K.BIERWIRTH,A.FRANK,A.LERCH, J.REUSSWIG
Literature Reference Citation CHEM.BER.,123,1421(1990)
Literature Reference DOI 10.1002/cber.19901230636
Molecular Weight 399.609 g/mol
Solvent THF-D8:ETHER-D10=1:1
Source File Reference UWCS12984