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- Title
Synthesis, isolation and characterisation of fluorinated‐benzimidazoisoquinoline regioisomers.
- Authors
Lim, Ting Xiang; Pierens, Gregory K.; Bernhardt, Paul V.; Ahamed, Muneer; Reutens, David C.
- Abstract
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.
- Subjects
MASS spectrometry; NUCLEAR magnetic resonance; NUCLEAR magnetic resonance spectroscopy; QUANTUM coherence; DENSITY functional theory; X-ray diffraction
- Publication
Magnetic Resonance in Chemistry, 2021, Vol 59, Issue 11, p1154
- ISSN
0749-1581
- Publication type
Article
- DOI
10.1002/mrc.5193