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Structure and NMR spectra of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid and its Anhydride
Journal of Molecular Structure ( IF 4.0 ) Pub Date : 2021-09-29 , DOI: 10.1016/j.molstruc.2021.131610 R. Alan Aitken 1 , Fiona M. Fotherby 1 , Alexandra M.Z. Slawin 1
中文翻译：
双环[2.2.1]庚-2,5-二烯-2,3-二羧酸及其酸酐的结构和核磁共振谱
更新日期：2021-10-06
Journal of Molecular Structure ( IF 4.0 ) Pub Date : 2021-09-29 , DOI: 10.1016/j.molstruc.2021.131610 R. Alan Aitken 1 , Fiona M. Fotherby 1 , Alexandra M.Z. Slawin 1
Affiliation
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Two of the three published sets of 1H and 13C NMR data for bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic anhydride have been found to actually be those of the corresponding diacid. The NMR spectroscopic distinction between these two compounds is clarified and 1JC–H values are reported for the anhydride, the diacid and a related diester. The X-ray structure of the diacid has been determined and features chains of molecules involving both intra- and inter-molecular hydrogen bonding.
中文翻译：
双环[2.2.1]庚-2,5-二烯-2,3-二羧酸及其酸酐的结构和核磁共振谱
已发现双环[2.2.1]庚-2,5-二烯-2,3-二羧酸酐的三组已发表的1 H 和13 C NMR 数据中的两组实际上是相应二酸的数据。阐明了这两种化合物之间的 NMR 光谱区别，并报告了酸酐、二酸和相关二酯的1 J C–H值。已确定二酸的 X 射线结构，并具有涉及分子内和分子间氢键的分子链。
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