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在质子磁共振谱(PMR)中,有机化合物的氢原子一般都能给出特定的信号.根据图谱中吸收信号的化学位移、吸收峰的面积比和吸收峰的分裂重数,就可以初步分辨这些氢原子在分子中所处的环境、某一个基团上氢原子的数目和邻近原子上的氢原子数.从而确定分子中的某些含氢碎片. 在碳-13核磁共振谱中,除了不同的含碳基团能给出特定的化学位移之外,由于~(13)C—1~H之间的偶合,还将使信号出现分裂.根据吸收峰分别形成四重峰(Q)、三重峰(T)、二重峰(D),或不分裂而出现的单峰(S),可以判断该碳原子上是连有3个、2个或1个氢原子,还是完全不带氢原子.利用计算机分析这些信号的归属,能有效地推断有机分子的基本结构.
In proton magnetic resonance spectroscopy (PMR), the hydrogen atoms of organic compounds are generally given a specific signal, which can be initially resolved based on the chemical shift of the absorption signal in the spectrum, the area ratio of the absorption peak, and the splitting multiplicity of the absorption peak These hydrogen atoms in the molecule in the environment, the number of hydrogen atoms on a group and adjacent atoms on the number of hydrogen atoms to determine the molecular hydrogen-containing fragments in the carbon -13 nuclear magnetic resonance spectrum, in addition to In addition to the specific chemical shifts given by different carbon-containing groups, the signal will also be split due to the coupling of ~ (13) C-1 to H. The quartet (Q) A triplet (T), a doublet (D), or a single peak (S) that does not divide results in the determination of whether there are 3, 2, or 1 hydrogen atoms attached to that carbon atom, or no hydrogen at all Atom. Using computer analysis of the attribution of these signals, can effectively infer the basic structure of organic molecules.