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LITHIUM-4,6-DI-TERT.-BUTYL-1-(2,4-DI-TERT.-BUTYLCYCLOPENTADIENYL)-2-(1,3-DI-TERT.-BUTYL-6-PENTAFULVENYL)-1,3A-DIHYDROPENTALEN-3A-IDE

View entire compound with spectra: 8 NMR

LITHIUM-4,6-DI-TERT.-BUTYL-1-(2,4-DI-TERT.-BUTYLCYCLOPENTADIENYL)-2-(1,3-DI-TERT.-BUTYL-6-PENTAFULVENYL)-1,3A-DIHYDROPENTALEN-3A-IDE
SpectraBase Compound ID 8qHKjsO3TPl
InChI InChI=1S/C43H64.C4H8O.Li/c1-38(2,3)28-20-26(32(23-28)40(7,8)9)19-27-21-30-34(42(13,14)15)25-35(43(16,17)18)37(30)36(27)31-22-29(39(4,5)6)24-33(31)41(10,11)12;1-2-4-5-3-1;/h19-21,23-26,36H,22H2,1-18H3;1-4H2;/q;;+1/b27-19+;;
InChIKey IBGXDLVSWZSAAT-XPFTWYDJSA-N
Mol Weight 660.0 g/mol
Molecular Formula C47H72LiO
Exact Mass 659.57432 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7iehd8I6hAx
Name LITHIUM-4,6-DI-TERT.-BUTYL-1-(2,4-DI-TERT.-BUTYLCYCLOPENTADIENYL)-2-(1,3-DI-TERT.-BUTYL-6-PENTAFULVENYL)-1,3A-DIHYDROPENTALEN-3A-IDE
CAS Registry Number 125765-03-9
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H72LiO
InChI InChI=1S/C43H64.C4H8O.Li/c1-38(2,3)28-20-26(32(23-28)40(7,8)9)19-27-21-30-34(42(13,14)15)25-35(43(16,17)18)37(30)36(27)31-22-29(39(4,5)6)24-33(31)41(10,11)12;1-2-4-5-3-1;/h19-21,23-26,36H,22H2,1-18H3;1-4H2;/q;;+1/b27-19+;;
InChIKey IBGXDLVSWZSAAT-XPFTWYDJSA-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 660.029 g/mol
Solvent THF-D8
Source File Reference UWCS12988