《有机化合物波谱解析》课件5综合解析

1、波谱解析第五章 谱图综合解析 Company Logo1 谱图综合解析一般程序 1. 推导分子式，计算不饱和度(1)由高分辨质谱仪测得精确分子量，推断分子式。(2)由质谱的分子离子峰及同位素峰的相对强度推导分子式。(3)由质谱的分子离子峰确定分子量，结合元素分析求得最简式导出分子式。或结合NMR谱推导的氢原子数目及碳原子数目之简比，确定化合物的分子式。Company Logo2. 不饱和基的判断 不饱和度大于零的化合物，从IR谱（C=O，C=C，苯环，CC），1H-NMR（羧氢，醛氢，烯氢，芳氢），13C-NMR （C=O，C=C，苯环，CC），UV（210 nm以上吸收）3. 活泼氢的识别O

2、H，NH2，COOH，CHO可由IR，1H-NMR谱识别。Company Logo4. 13C-NMR提供的信息碳的种类，数目，碳原子上氢原子的数目；5. 1H-NMR提供的信息氢原子种类，氢原子数目之简比，从氢的偶合裂分的情况，得到有关结构的进一步信息。6. 综合分析7. 结构验证 NMR、MS验证及标准图谱验证Company LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoHC=CH_裂解麦氏重排Company LogoCompany Lo

3、goCompany Logo计算分子式Company LogoCompany LogoCompany LogoCompany Logoi裂解Company LogoCompany LogoCompany Logo计算分子式Company Logo,异丙基存在Company LogoCompany Logo5Company LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany Logo麦氏重排iCompany L

4、ogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoiCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany Logo-COiCompany LogoCompany LogoCompany Logo间位取代Company LogoCompany LogoCompany LogoCompany LogoCompany LogoCompany Logo-c=c_重排Company LogoCompany LogoCompany LogoCompany LogoCompany LogoC