波谱学杂志

• 研究论文 • 上一篇    下一篇

嘧螨酯波谱学数据全归属

袁云飞,洪海,杨晓云*,刘德云   

  1. 华南农业大学 农药系,农药与化学生物学教育部重点实验室,广东 广州 510642
  • 收稿日期:2013-03-15 修回日期:2013-04-09 出版日期:2013-12-05 发布日期:2013-12-05
  • 作者简介:袁云飞(1988-),男,湖南邵阳人,硕士研究生,从事分析检测工作,E-mail:yuanyfei@yahoo.cn.*通讯联系人:杨晓云,电话:13380066141,E-mail:yxyhyxy@scau.edu.cn.

Spectroscopic Data of Fluacrypyrim and Interpretations

YUAN Yun-fei,HONG Hai,YANG Xiao-yun*,LIU De-yun   

  1. Key Laboratory of Natural Pesticide and Chemical Biology of Ministry of Education, South China Agricultural University, Guangzhou 510642, China
  • Received:2013-03-15 Revised:2013-04-09 Online:2013-12-05 Published:2013-12-05
  • About author:*Corresponding author: Yang Xiao-yun, Tel: 13380066141,E-mail:yxyhyxy@scau.edu.cn

摘要:

嘧螨酯为一种新型杀螨剂和STAT3激活抑制剂. 该文对嘧螨酯的紫外吸收光谱(UV)、红外吸收光谱(IR)、质谱(MS)、核磁共振氢谱(1H NMR)、核磁共振碳谱(13C NMR)、DEPT谱、1H-1H COSY谱、异核单量子相关谱(HSQC)、异核多键相关谱(HMBC)进行了解析,并对该化合物所有的核磁信号进行了全归属;同时讨论了紫外光谱吸收带位置和吸收强度与该化合物的生色团对应关系、红外光谱特征吸收峰与该化合物的各官能团的对应关系、氟原子(F)对其13C NMR的影响以及质谱离子碎片的归属和化合物的裂解规律. 该研究将为嘧螨酯的结构确证及其他相关研究提供参考.

关键词: 核磁共振(NMR), 嘧螨酯, 全归属, 质谱, 红外光谱

Abstract:

Fluacrypyrim is a new miticide, and a novel STAT3 activation inhibitor. In this study, the infrared spectrum, ultraviolet spectrum, 1D/2D NMR spectra and mass spectra of fluacrypyrim were obtained and interpreted. All the NMR signals were assigned. The position/intensity of the absorption band in the ultraviolet spectrum was used to analyze the chromophores. The infrared spectrum was used to elucidate the effects of the fluorine atoms on the structure of the compound.  According to the mass spectral data and the main fragment ions, the possible fragmentation pathways were obtained. The structure of the compound was determined.

Key words: NMR, fluacrypyrim, complete assignment, mass spectroscopy, infrared spectroscopy

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