关键词: 液体磁共振, 全归属, 高分辨质谱, 氟醚菌酰胺, 红外光谱

Abstract:

Fluopimomide is a broad-spectrum fungicide. Its structure was characterized using a combination of high-resolution mass spectrometry (HR-MS), ultraviolet spectroscopy (UV), infrared spectroscopy (IR), and nuclear magnetic resonance spectroscopy (NMR). The characteristic absorption bands in the UV spectrum, as well as the characteristic absorption peaks in the IR spectrum and their corresponding vibrational modes of functional groups were identified. Furthermore, the structure was confirmed through comprehensive analysis of ¹H NMR spectrum, ¹³C NMR spectrum, distortionless enhancement by polarization transfer (DEPT), homonuclear correlation spectrum (¹H-¹H COSY), heteronuclear single quantum coherence spectroscopy (¹H-¹³C HSQC), and heteronuclear multiple bond correlation spectroscopy (¹H-¹³C HBMC). The connectivity of relevant groups was assigned, thereby unequivocally verifying the compound's structure. The spectroscopic data and structural confirmation are not only crucial for quality control during pesticide production but also provide a valuable reference for the synthesis of fluopimomide analogs.

Key words: Liquid NMR, complete assignment, HR-MS, Fluopimomide, IR