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PDDZKDMBMFBCGY-JHVMFJRMSA-N

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PDDZKDMBMFBCGY-JHVMFJRMSA-N
SpectraBase Compound ID D8awtddFh2n
InChI InChI=1S/C46H46.2K/c1-3-7-11-29-23-33-15-17-37-27-31(13-9-5-1)45(39-21-19-35(25-29)41(33)43(37)39)46-32-14-10-6-2-4-8-12-30-24-34-16-18-38(28-32)44-40(46)22-20-36(26-30)42(34)44;;/h15-23,25-28,39,45-46H,1-14,24H2;;/q;2*+1/t39?,45-,46+;;/m1../s1
InChIKey PDDZKDMBMFBCGY-JHVMFJRMSA-N
Mol Weight 677.0706 g/mol
Molecular Formula C46H46K2
Exact Mass 676.287364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzkeUFg8CGP
Name PDDZKDMBMFBCGY-JHVMFJRMSA-N
Compound Number 2A-2-K+
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H46K2
InChI InChI=1S/C46H46.2K/c1-3-7-11-29-23-33-15-17-37-27-31(13-9-5-1)45(39-21-19-35(25-29)41(33)43(37)39)46-32-14-10-6-2-4-8-12-30-24-34-16-18-38(28-32)44-40(46)22-20-36(26-30)42(34)44;;/h15-23,25-28,39,45-46H,1-14,24H2;;/q;2*+1/t39?,45-,46+;;/m1../s1
InChIKey PDDZKDMBMFBCGY-JHVMFJRMSA-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 677.068 g/mol
Solvent THF-D8
Source File Reference UWMZ24441