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YRRQSQBDLBIGII-UHFFFAOYSA-N

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YRRQSQBDLBIGII-UHFFFAOYSA-N
SpectraBase Compound ID EMAQdnQDJVJ
InChI InChI=1S/C48H50.2K/c1-3-7-11-15-33-29-39-19-17-35-25-31(13-9-5-1)27-37-21-23-41(45(39)43(35)37)47(33)48-34-16-12-8-4-2-6-10-14-32-26-36-18-20-40(30-34)46-42(48)24-22-38(28-32)44(36)46;;/h17-24,27-30,47-48H,1-16,25-26H2;;/q;2*+1
InChIKey YRRQSQBDLBIGII-UHFFFAOYSA-N
Mol Weight 705.1246 g/mol
Molecular Formula C48H50K2
Exact Mass 704.318665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gejeo6cJwrr
Name YRRQSQBDLBIGII-UHFFFAOYSA-N
Compound Number 4A-2-K+
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H50K2
InChI InChI=1S/C48H50.2K/c1-3-7-11-15-33-29-39-19-17-35-25-31(13-9-5-1)27-37-21-23-41(45(39)43(35)37)47(33)48-34-16-12-8-4-2-6-10-14-32-26-36-18-20-40(30-34)46-42(48)24-22-38(28-32)44(36)46;;/h17-24,27-30,47-48H,1-16,25-26H2;;/q;2*+1
InChIKey YRRQSQBDLBIGII-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 705.122 g/mol
Solvent THF-D8
Source File Reference UWMZ24445