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Synthesis, isolation and characterisation of fluorinated-benzimidazoisoquinoline regioisomers
Magnetic Resonance in Chemistry ( IF 2 ) Pub Date : 2021-07-11 , DOI: 10.1002/mrc.5193
Ting Xiang Lim 1, 2 , Gregory K Pierens 2 , Paul V Bernhardt 3 , Muneer Ahamed 1, 2 , David C Reutens 1, 2
Affiliation  

A pair of novel fluorinated-benzimidazoisoquinoline regioisomers was synthesised and isolated. Initial structural characterisation and identification employed 1D proton, 1D carbon, correlated spectroscopy (COSY), heteronuclear single quantum coherence (HSQC), and heteronuclear multiple bond correlation (HMBC) nuclear magnetic resonance spectroscopy and mass spectrometry. However, the fluorinated regioisomers could not be differentiated using nuclear magnetic resonance (NMR) alone. Density functional theory calculations and single-crystal X-ray diffraction experiments were used to completely characterise and identify the compounds.

中文翻译:

氟化-苯并咪唑并异喹啉区域异构体的合成、分离和表征

合成并分离了一对新型氟化-苯并咪唑并异喹啉区域异构体。最初的结构表征和鉴定采用一维质子、一维碳、相关光谱 (COSY)、异核单量子相干 (HSQC) 和异核多键相关 (HMBC) 核磁共振光谱和质谱。然而,单独使用核磁共振 (NMR) 无法区分氟化区域异构体。密度泛函理论计算和单晶 X 射线衍射实验用于完全表征和鉴定化合物。
更新日期:2021-07-11
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