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SMDBIMJBCFZJEF-UHFFFAOYSA-N

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SMDBIMJBCFZJEF-UHFFFAOYSA-N
SpectraBase Compound ID 2hYnkW9JXrV
InChI InChI=1S/C52H42.2Li/c1-3-31-7-9-35-25-37-15-17-43-29-41(13-11-33(5-1)23-31)51(45-21-19-39(27-35)47(37)49(43)45)52-42-14-12-34-6-2-4-32(24-34)8-10-36-26-38-16-18-44(30-42)50-46(52)22-20-40(28-36)48(38)50;;/h1-6,15-24,27-30,51-52H,7-14,25-26H2;;/q;2*+1
InChIKey SMDBIMJBCFZJEF-UHFFFAOYSA-N
Mol Weight 680.79 g/mol
Molecular Formula C52H42Li2
Exact Mass 680.360658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBHNatthvz6
Name SMDBIMJBCFZJEF-UHFFFAOYSA-N
Compound Number 3A-2-LI+
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H42Li2
InChI InChI=1S/C52H42.2Li/c1-3-31-7-9-35-25-37-15-17-43-29-41(13-11-33(5-1)23-31)51(45-21-19-39(27-35)47(37)49(43)45)52-42-14-12-34-6-2-4-32(24-34)8-10-36-26-38-16-18-44(30-42)50-46(52)22-20-40(28-36)48(38)50;;/h1-6,15-24,27-30,51-52H,7-14,25-26H2;;/q;2*+1
InChIKey SMDBIMJBCFZJEF-UHFFFAOYSA-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 680.787 g/mol
Solvent THF-D8
Source File Reference UWMZ24442