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LITHIUM-3-TERT.-BUTYL-1-[6-(2-TERT.-BUTYL-6-PENTAFULVENYL)-1,3,5-HEXATRIENYL]-CYCLOPENTADIENIDE
SpectraBase Compound ID 1fRPnLqhdkR
InChI InChI=1S/C25H32.Li/c1-24(2,3)22-16-14-20(18-22)12-10-8-7-9-11-13-21-15-17-23(19-21)25(4,5)6;/h7-16,18-19H,17H2,1-6H3;/q;+1/b9-7+,10-8+,13-11+,20-12+;
InChIKey XLGDCOWDSLYZTO-BVHDFZIRSA-N
Mol Weight 339.5 g/mol
Molecular Formula C25H32Li
Exact Mass 339.266404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44H3bT5thda
Name LITHIUM-3-TERT.-BUTYL-1-[6-(2-TERT.-BUTYL-6-PENTAFULVENYL)-1,3,5-HEXATRIENYL]-CYCLOPENTADIENIDE
CAS Registry Number 125764-99-0
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32Li
InChI InChI=1S/C25H32.Li/c1-24(2,3)22-16-14-20(18-22)12-10-8-7-9-11-13-21-15-17-23(19-21)25(4,5)6;/h7-16,18-19H,17H2,1-6H3;/q;+1/b9-7+,10-8+,13-11+,20-12+;
InChIKey XLGDCOWDSLYZTO-BVHDFZIRSA-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 339.470 g/mol
Solvent THF-D8
Source File Reference UWCS12981