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Structural analysis and complete assignment of the 1 H and 13 C NMR spectra of thiele's ester
Author(s) -
Minter David E.,
Marchand Alan P.,
Lu Shaopo
Publication year - 1990
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260280712
Subject(s) - chemistry , nmr spectra database , indene , spectral line , carbon 13 nmr , proton nmr , nuclear magnetic resonance spectroscopy , computational chemistry , stereochemistry , organic chemistry , physics , astronomy
The 1 H and 13 C NMR spectra of ‘Thiele's ester,’ i.e. dimethyl 3α 4α, 7α, 7α‐tetrahydro‐4,7‐methano‐1H‐indene‐2,6‐dicarboxylate, have been assigned completely by using a combination of one‐ and two‐dimensional NMR techniques. The results thereby obtained afford the first unambiguous assignment of the structure of Thiele's ester that has been made solely on the basis of NMR spectral analysis. The structure obtained is fully consistent with that of Thiele's ester established previously by chemical methods.