论文部分内容阅读
NMR核磁共振谱显示3 ,5-二甲基金刚胺盐酸盐是一个刚性结构,但其分子结构包含2个非对映体的立体构型形式.我们通过利用DEPT,1H-1H COSY, HSQC和HMBC等技术所测得的二维谱图数据对NMR数据进行了完整的归属分析,其中13CNMR谱图显示在δ=29 ~54 ppm之间的十组峰表示所有碳的共振,而且由于不同的分子构象导致在13C NMR谱中有3个不同的季碳峰和1H NMR中的2个不同的甲基峰.由于H5的叔碳H原子与邻近CH2的平面二面夹角均约为600 ,致使耦合常数极其小,波谱仪难以分辨它们从而使1H NMR峰为单重峰.
NMR nuclear magnetic resonance spectroscopy showed that 3,5-dimethyl-amantadine hydrochloride was a rigid structure, but its molecular structure contained two diastereomers in stereoconfiguration. We determined the molecular structure of the product by using DEPT, 1H-1H COZY, HSQC And HMBC and other two-dimensional spectral data measured by the complete attribution analysis of NMR data, 13CNMR spectra showed that the group of ten peaks between δ = 29 ~ 54 ppm of all carbon resonance, and because of the different Results in three different quaternary carbon peaks in the 13C NMR spectrum and two different methyl peaks in the 1H NMR.As the angle between the two planes of the tertiary carbon H atom of H5 and the adjacent CH2 is about 600 , Resulting in extremely small coupling constants, which are difficult to discern by the spectrometer so that the 1H NMR peaks are singlet.