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LITHIUM-(E)-1,4-DI-TERT.-BUTYL-2-[4-(1,3-DI-TERT.-BUTYL-6-PENTAFULVENYL)-1,3-BUTADIENYL]-CYCLOPENTADIENIDE
SpectraBase Compound ID DOkhB0nh07J
InChI InChI=1S/C31H46.Li/c1-28(2,3)24-18-22(26(20-24)30(7,8)9)16-14-13-15-17-23-19-25(29(4,5)6)21-27(23)31(10,11)12;/h13-20H,21H2,1-12H3;/q;+1/b14-13+,17-15+,22-16+;
InChIKey WFRZBRPOSDXDBK-KWKKTCJCSA-N
Mol Weight 425.6 g/mol
Molecular Formula C31H46Li
Exact Mass 425.375955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7l34p1KrbCb
Name LITHIUM-(E)-1,4-DI-TERT.-BUTYL-2-[4-(1,3-DI-TERT.-BUTYL-6-PENTAFULVENYL)-1,3-BUTADIENYL]-CYCLOPENTADIENIDE
CAS Registry Number 125781-17-1
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H46Li
InChI InChI=1S/C31H46.Li/c1-28(2,3)24-18-22(26(20-24)30(7,8)9)16-14-13-15-17-23-19-25(29(4,5)6)21-27(23)31(10,11)12;/h13-20H,21H2,1-12H3;/q;+1/b14-13+,17-15+,22-16+;
InChIKey WFRZBRPOSDXDBK-KWKKTCJCSA-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 425.647 g/mol
Solvent THF-D8:ETHER-D10=1:1
Source File Reference UWCS12985