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GZUKQPDUFXGMSL-GARKPEPMSA-N

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GZUKQPDUFXGMSL-GARKPEPMSA-N
SpectraBase Compound ID 86gUuS1Nkgf
InChI InChI=1S/C50H54.2Li/c1-3-7-11-15-33-27-37-19-21-41-31-35(17-13-9-5-1)49(43-25-23-39(29-33)45(37)47(41)43)50-36-18-14-10-6-2-4-8-12-16-34-28-38-20-22-42(32-36)48-44(50)26-24-40(30-34)46(38)48;;/h19-27,30-32,49-50H,1-18,28-29H2;;/q;2*+1/t49-,50+;;/m1../s1
InChIKey GZUKQPDUFXGMSL-GARKPEPMSA-N
Mol Weight 668.86 g/mol
Molecular Formula C50H54Li2
Exact Mass 668.454559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mpvPSE1Ial
Name GZUKQPDUFXGMSL-GARKPEPMSA-N
Compound Number 5A-2-LI+
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H54Li2
InChI InChI=1S/C50H54.2Li/c1-3-7-11-15-33-27-37-19-21-41-31-35(17-13-9-5-1)49(43-25-23-39(29-33)45(37)47(41)43)50-36-18-14-10-6-2-4-8-12-16-34-28-38-20-22-42(32-36)48-44(50)26-24-40(30-34)46(38)48;;/h19-27,30-32,49-50H,1-18,28-29H2;;/q;2*+1/t49-,50+;;/m1../s1
InChIKey GZUKQPDUFXGMSL-GARKPEPMSA-N
Literature Reference Author I.APRAHAMIAN,G.J.BODWELL,J.J.FLEMING,G.P.MANNING,M.R.MANNION ,B.L.MERNER,T.SHERAD
Literature Reference Citation J.AM.CHEM.SOC.,126,6765(2004)
Literature Reference DOI 10.1021/ja040039u
Molecular Weight 668.861 g/mol
Solvent THF-D8
Source File Reference UWMZ24446