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1,1,2,2-TETRAKIS-(1,3-DI-TERT.-BUTYL-6-PENTAFULVENYL)-ETHANE
SpectraBase Compound ID 72AWwN7zhOA
InChI InChI=1S/C58H86/c1-51(2,3)43-29-39(47(33-43)55(13,14)15)25-37(26-40-30-44(52(4,5)6)34-48(40)56(16,17)18)38(27-41-31-45(53(7,8)9)35-49(41)57(19,20)21)28-42-32-46(54(10,11)12)36-50(42)58(22,23)24/h25-38H,1-24H3/b39-25-,40-26+,41-27+,42-28+
InChIKey GSSUPYABYGRCHI-YQLFATJBSA-N
Mol Weight 783.3 g/mol
Molecular Formula C58H86
Exact Mass 782.672953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UL3JgZLgUv
Name 1,1,2,2-TETRAKIS-(1,3-DI-TERT.-BUTYL-6-PENTAFULVENYL)-ETHANE
CAS Registry Number 125764-96-7
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H86
InChI InChI=1S/C58H86/c1-51(2,3)43-29-39(47(33-43)55(13,14)15)25-37(26-40-30-44(52(4,5)6)34-48(40)56(16,17)18)38(27-41-31-45(53(7,8)9)35-49(41)57(19,20)21)28-42-32-46(54(10,11)12)36-50(42)58(22,23)24/h25-38H,1-24H3/b39-25-,40-26+,41-27+,42-28+
InChIKey GSSUPYABYGRCHI-YQLFATJBSA-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 783.321 g/mol
Solvent C7D8:CDCl3=2:1
Source File Reference UWCS12987