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1、溶劑1H化學(xué)位移δ（精細(xì)多重峰數(shù)）JHD/Hz13C化學(xué)位移δ（精細(xì)多重峰數(shù)）JCD/HzNMR溶劑中殘余H2O或HOD的質(zhì)子化學(xué)移相對(duì)密度（20℃）熔點(diǎn)/℃沸點(diǎn)/℃丙酮—d62.05(5)2.2206.68(13)29.92(7)0.919.42.80.87-9457氯仿-d7.27(1)77.23(3)32.01.51.50-6462重水4.80(DSS)4.81(TSP)4.81.113.8101.4N，N-二甲基甲酰胺-d78.03(1)2.92(5)2.75(51.91.9163.15(3)34.89(7)29.76(7
2、29.421.021.13.51.04-61153二甲基亞砜-d62.50(5)1.939.51(7)21.03.31.1818189甲醇-d44.87(1)3.31(5)1.749.15(7)21.44.90.89-9865注：JHD為溶劑本身的其他1H對(duì)與之相對(duì)應(yīng)的1H之間的耦合常數(shù)，JCD為溶劑本身1H對(duì)13C的耦合常數(shù)，H2O和交換了D的HOD上的1H產(chǎn)生的即水峰的化學(xué)位移氯仿：小、中小、中等極性DMSO：芳香系統(tǒng)（日光下自然顯色、紫外熒光）。對(duì)于酚羥基能夠出峰。芳香化合物還是芳香甙，都為首選。吡啶：極性大的，特別是皂甙對(duì)
3、低、中極性的樣品，最常采用氘代氯仿作溶劑，因其價(jià)格遠(yuǎn)低于其它氘代試劑。極性大的化合物可采用氘代丙酮、重水等。???針對(duì)一些特殊的樣品，可采用相應(yīng)的氘代試劑：如氘代苯（用于芳香化合物、芳香高聚物）、氘代二甲基亞砜（用于某些在一般溶劑中難溶的物質(zhì)）、氘代吡啶（用于難溶的酸性或芳香化合物）等。丙酮：中等極性甲醇：極性大氯仿—甲醇：石：乙5；1小極性石：丙2：1——1：1中等極性氯仿：甲醇6：1極性以上含有一個(gè)糖2：1含有兩個(gè)糖含有糖的三萜皂甙：一般用吡啶常見(jiàn)溶劑的化學(xué)位移常見(jiàn)溶劑的1H在不同氘代溶劑中的化學(xué)位移值mult.氘代溶劑CDC
4、l3(CD3)2CO(CD3)2SOC6D6CD3CNCD3ODD2OC5D5N殘余溶劑峰 7.262.052.507.161.943.314.797.207.578.72水峰brs1.562.843.330.402.134.874.794.96CHCl3s7.268.028.326.157.587.90? (CH3)2COs2.172.092.091.552.082.152.22(CH3)2SOs2.622.522.541.682.502.652.71C6H6s7.367.367.377.157.377.33 ?CH3CNs2.
5、102.052.071.551.962.032.06CH3OHCH3,sOH,s3.491.093.313.123.164.013.073.282.163.343.34C5H5NCH(2),mCH(3),mCH(4),m8.627.297.688.587.357.768.587.397.798.536.666.988.577.337.738.537.447.858.527.457.878.727.207.57CH3COOC2H5CH3,sCH2,qCH3,t2.054.121.261.974.051.201.994.031.171
6、.653.890.921.974.061.202.014.091.242.074.141.24CH2Cl2s5.305.635.764.275.445.49n-hexaneCH3,tCH2,m0.881.260.881.280.861.250.891.240.891.280.901.29C2H5OHCH3,tCH2,q1.253.721.123.571.063.440.963.341.123.541.193.601.173.65常見(jiàn)溶劑的化學(xué)位移常見(jiàn)溶劑的13C在不同氘代溶劑中的化學(xué)位移值氘代溶劑CDCl3(CD3)2CO(CD3
7、)2SOC6D6CD3CNCD3ODD2OC5D5N溶劑峰77.16206.2629.8439.52128.061.32118.2649.00-123.44135.43149.84CHCl377.3679.1979.1677.7979.1779.44(CH3)2CO207.0730.92205.8730.60206.3130.56204.4330.14207.4330.91209.6730.67215.9430.89(CH3)2SO40.7641.2340.4540.0341.3140.4539.39C6H6128.37129.1
8、5128.30128.62129.32129.34CH3CN116.431.89117.601.12117.911.03116.020.20118.261.79118.060.85119.681.47CH3OH50.4149.7748.5949.9
