核磁共振中常见溶剂在氘代试剂中的化学位移值

1、常见溶剂的1H在不同氘代溶剂中的化学位移值质子多重性CDC3(CD3) 2CO(CD3) 2SOQDbCDCNCDODD2O溶剂残留峰7.262.052.57.161.943.314.79水s1.562.84 a3.33 a0.42.134.87乙酸CHs2.11.961.911.551.961.992.08丙酮CHs2.172.092.091.552.082.152.22乙腈CHs2.12.052.071.551.962.032.06苯CHs7.367.367.377.157.377.33叔丁醇CHs1.281.181.111.051.161.41.24OHs4.191.552.18氯仿CH

2、s7.268.028.326.157.587.9环己烷CHs1.431.431.41.41.441.451,2-二氯乙烷CHs3.733.873.92.93.813.78二氯甲烷CHs5.35.635.764.275.445.49乙醚CHt1.211.111.091.111.121.181.17CHq3.483.413.383.263.423.493.56二甲亚砜（DMSOCHs2.622.522.541.682.52.652.71乙醇CHt1.251.121.060.961.121.191.17CHdq3.723.573.443.343.543.63.65OHcd s1.323.394.63

3、2.47乙酸乙酯CHICOs2.051.971.991.651.972.012.07CHCHq4.124.054.033.894.064.094.14CHCHt1.261.21.170.921.21.241.24正己烷CHt0.880.880.860.890.890.9CHm1.261.281.251.241.281.29甲醇CHh s3.493.313.163.073.283.343.34OHgh s1.093.124.012.16吡啶CH( 2)m8.628.588.588.538.578.538.52CH( 3)m7.297.357.396.667.337.447.45CH( 4)m7.

4、687.767.796.987.737.857.87四氢咲喃CHm1.851.791.761.41.81.871.88CHOm3.763.633.63.573.643.713.74甲苯CHs2.362.322.32.112.332.32CH(o/p)m7.177.1-7.27.187.027.1-7.37.16CH(m)m7.257.1-7.27.257.137.1-7.37.16三乙胺CHt1.030.960.930.960.961.050.99CHq2.532.452.432.42.452.582.57a在这些溶剂中，分子间的交换速率很低，从而导致HDO峰可以被观测到，在丙酮和DMSO中它

5、分别位于2.82ppm和3.30ppm。在前一个溶剂中，他通常为1:1:1的三重峰，2Jh,d=1Hzc这些来源于可交换的质子的信号通常不容易被观察到。d在某些情况下（见注释 a），CH2和0H中质子的偶合作用可以被观察到（J=5Hz）。g六甲基磷酰胺。h在某些情况下（见注释 a，d） CH3和OH中质子的偶合可以观察到（J=5.5Hz）。常见溶剂的13C在不同氘代溶剂中的化学位移值CDCb(CDs) 2CO(CD3)2SOC6D6CDCNCDODDO溶剂信号77.16 0.0629.84 0.0139.52 0.06128.06 0.021.32 0.0249.00 0.01206.26 0

6、.13118.26 0.02乙酸CO175.99172.31171.93175.82173.21175.11177.21CH20.8120.5120.9520.3720.7320.5621.03丙酮CO207.07205.87206.31204.43207.43209.67215.94CH30.9230.630.5630.1430.9130.6730.89乙腈CN116.43117.6117.91116.02118.26118.06119.68CH1.891.121.030.21.790.851.47苯CH128.37129.15128.3128.62129.32129.34叔丁醇C69.15

7、68.1366.8868.1968.7469.470.36CH31.2530.7230.3830.4730.6830.9130.29氯仿CH77.3679.1979.1677.7979.1779.44环己烷CH26.9427.5126.3327.2327.6327.961,2-二氯乙烷CH43.545.2545.0243.5945.5445.11二氯甲烷CH53.5254.9554.8453.4655.3254.78乙醚CH15.215.7815.1215.4615.6315.4614.77CH65.9166.1262.0565.9466.3266.8866.42二甲亚砜（DMSOCH40.7

8、641.2340.4540.0341.3140.4539.39乙醇CH18.4118.8918.5118.7218.818.417.47CH58.2857.7256.0757.8657.9658.2658.05乙酸乙酯CHCO21.0420.8320.6820.5621.1620.8821.15CO171.36170.96170.31170.44171.68172.89175.26CH60.4960.5659.7460.2160.9861.562.32CH14.1914.514.414.1914.5414.4913.92正己烷CH14.1414.3413.8814.3214.4314.45CH

9、（ 2）22.723.2822.0523.0423.423.68CH（ 3）31.6432.330.9531.9632.3632.73甲醇CH50.4149.7748.5949.9749.949.8649.5吡啶CH（2）149.9150.67149.58150.27150.76150.07149.18CH（ 3）123.75124.57123.84123.58127.76125.53125.12CH（4）135.96136.56136.05135.28136.89138.35138.27四氢咲喃CH25.6226.1525.1425.7226.2726.4825.67CHO67.9768.0767.0367.868.3368.8368.68甲苯CH21.4621.4620.9921.121.521.5C(i)137.89138.48137.35137.91138.9138.85CH(o)129.07129.76128.88129.33129.94129.91CH(m)12