NMR常见溶剂峰和水峰

1、溶剂1H化学位移S（精细多重峰 数）JHD/Hz13C化学位移s（精细多重峰 数）JCD/HzNM溶剂中残余H2O或HO啲质子化学移相对密度（20 C）熔点厂C沸点/ C丙酮一d62.05(5)2.2206.68(13)0.92.80.87-945729.92(7)19.4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8.03(1)163.15(3)29.43.51.04-61153基甲酰胺2.92(5)1.934.89(7)21.0七72.75(51.929.76(721.1二甲基亚2

2、.50(5)1.939.51(7)21.03.31.1818189砜-d 6甲醇-d 44.87(1)3.31(5)1.749.15(7)21.44.90.89-9865注：JHD为溶剂本身的其他 1H对与之相对应的1H之间的耦合常数，JCD为溶剂本身1H对13C的耦合常 数，H2O和交换了 D的HODh的1H产生的即水峰的化学位移氯仿：小、中小、中等极性DMSO芳香系统（日光下自然显色、紫外荧光）。对于酚羟基能够出峰。芳香化合物还是芳香甙，都为首选。吡啶：极性大的，特别是皂甙对低、中极性的样品，最常采用氘代氯仿作溶剂，因其价格远低于其它氘代试剂。极性大的化合物可采 用氘代丙酮、重水等。针对一

3、些特殊的样品，可采用相应的氘代试剂：如氘代苯（用于芳香化合物、芳香高聚物）、氘代二甲基亚砜（用于某些在一般溶剂中难溶的物质）、氘代吡啶（用于难溶的酸性或芳香化合物）等。丙酮：中等极性甲醇：极性大氯仿一甲醇：石：乙5 ； 1小极性石：丙2 : 1 1： 1中等极性氯仿：甲醇6: 1极性以上 含有一个糖2: 1含有两个糖含有糖的三萜皂甙：一般用吡啶常见溶剂的化学位移常见溶剂的1H在不同氘代溶剂中的化学位移值mult.氘代溶剂CDC3(CD)2CO(CD) 2SOCOCDCNCDODD2OGDNII7.20残余溶剂峰7.262.052.507.161.943.314.797.578.72水峰brs1

4、.562.843.330.402.134.874.794.96CHC3s7.268.028.326.157.587.90(CH3)2COs2.172.092.091.552.082.152.22(CH3) 2SOs2.622.522.541.682.502.652.71C6H5s7.367.367.377.157.377.33CHCNs2.102.052.071.551.962.032.06CH,s3.493.313.163.28CHOH3.073.343.34OH,s1.093.124.012.16CH(2) ,m8.628.588.588.538.578.538.528.72GHsNCH(

5、3),m7.297.357.396.667.337.447.457.20CH(4) ,m7.687.767.796.987.737.857.877.57CH,s2.051.971.991.651.972.012.07CHCOOCtCH,q4.124.054.033.894.064.094.14CH,t1.261.201.170.921.201.241.24CHCI2s5.305.635.764.275.445.49CH,t0.880.880.860.890.890.90n-hexaneCH,m1.261.281.251.241.281.29CH,t1.251.121.060.961.121.1

6、91.17GHsOHCH,q3.723.573.443.343.543.603.65常见溶剂的化学位移常见溶剂的13C在不同氘代溶剂中的化学位移值氘代溶剂CDCI3(CD3)2CO(CD3) 2SOQBCDCNCDODDOCsDsN123.44溶剂峰206.261.3277.1629.8439.52128.06118.2649.00-135.43149.84CHCb77.3679.1979.1677.7979.1779.44(CH3) 2CO207.07205.87206.31204.43207.43209.67215.9430.9230.6030.5630.1430.9130.6730.89

7、(CH3) 2SO40.7641.2340.4540.0341.3140.4539.39C6H128.37129.15128.30128.62129.32129.34116.43117.60117.91116.021 118.26118.06119.68CHCN1.891.121.030.201790.851.47CHOH50.4149.7748.5949.9749.9049.8649.50149.90150.67149.58150.27150.76150.07149.18C5H5N123.75124.57123.84123.58127.76125.53125.12135.96136.5613

8、6.05135.28136.89138.35138.2721.0420.8320.6820.5621.1620.8821.15171.36170.96170.31170.44171.68172.89175.26CHCOO2H60.4960.5659.7460.2160.9861.5062.3214.1914.5014.4014.1914.5414.4913.92CHCI253.5254.9554.8453.4655.3254.7814.1414.3413.8814.3214.4314.45n-hexane22.7023.2822.0523.0423.4023.6831.6432.3030.9531.9632.3632.73核磁知识 (NMR) 一：样品量的选择氢谱，氟谱，碳谱至少需要5mg. 1H-1H COSY, 1H-1H NOESY, 1H-13C HMBC, 1H-13C HSQC需要 10-15mg.碳谱需要 30mg.二：如何选择氘代溶剂 常用氘代溶剂 : CDCl3, DMSO, D2O, CD3OD. 特殊氘代溶剂 : CD3COCD3, C6D6, CD3CN。极性较大的化合物可以选择用D20或CD3OD如果想要观察活泼氢切记不能选择D2O和CD3ODCDC13为人民币2-3元，D2O为人民币6元，DMSO人民币10元，CD3OD人民币30