NMR中常用氘代试剂及化学位移

常见溶剂的H在不同氘代溶剂中的化学位移值

氘 代 溶 剂

CDCl3 (CD3)2CO(CD3)2SO7.26 1.56 7.26 2.17 2.62 7.36 2.10

2.05 2.84 8.02 2.09 2.52 7.36 2.05 3.31 3.12 8.58 7.35 7.76 1.97 4.05 1.20 5.63 0.88 1.28 1.12 3.57

2.50 3.33 8.32 2.09 2.54 7.37 2.07 3.16 4.01 8.58 7.39 7.79 1.99 4.03 1.17 5.76 0.86 1.25 1.06 3.44

C6D6 CD3CNCD3OD D2O 7.16 0.40 6.15 1.55 1.68 7.15 1.55 3.07 8.53 6.66 6.98 1.65 3.89 0.92 4.27 0.89 1.24 0.96 3.34

1.94 2.13 7.58 2.08 2.50 7.37 1.96 3.28 2.16 8.57 7.33 7.73 1.97 4.06 1.20 5.44 0.89 1.28 1.12 3.54

3.31 4.87 7.90 2.15 2.65 7.33 2.03 3.34 8.53 7.44 7.85 2.01 4.09 1.24 5.49 0.90 1.29 1.19 3.60

4.79 4.79 2.22 2.71 2.06 3.34 8.52 7.45 7.87 2.07 4.14 1.24

C5D5N 7.20 7.57 8.72 4.96

1

mult.

残余溶剂峰 水峰 CHCl3 (CH3)2CO (CH3)2SO C6H6 CH3CN CH3OH

brs

s s s s s

8.72 7.20 7.57

CH3,s 3.49 OH,s 1.09

CH(2),m CH(3),m CH(4),m

C5H5N

8.62 7.29 7.68 2.05 4.12 1.26 5.30

CH3,s

CH3COOC2H5 CH2,q

CH3,t

CH2Cl2 n-hexane C2H5OH

s CH3,t CH3,t

1.17 3.65

0.88

CH2,m 1.26 1.25

CH2,q 3.72

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

CDCl3 (CD3)2CO (CD3)2SO 77.16 77.36 207.07 30.92 40.76 128.37 116.43 1.89 50.41 149.90 123.75 135.96

206.26 29.84 79.19 205.87 30.60 41.23 129.15 117.60 1.12 49.77 150.67 124.57 136.56 20.83 170.96 60.56 14.50 54.95 14.34 23.28 32.30

39.52 79.16 206.31 30.56 40.45 128.30 117.91 1.03 48.59 149.58 123.84 136.05 20.68 170.31 59.74 14.40 54.84 13.88 22.05 30.95

C6D6 128.0677.79 204.4330.14 40.03 128.62116.020.20 49.97 150.27123.58135.2820.56 170.4460.21 14.19 53.46 14.32 23.04 31.96

CD3CN1.32 118.2679.17 207.4330.91 41.31 129.32118.261.79 49.90 150.76127.76136.8921.16 171.6860.98 14.54 55.32 14.43 23.40 32.36

CD3OD49.00 79.44 209.6730.67 40.45 129.34118.060.85 49.86 150.07125.53138.3520.88 172.8961.50 14.49 54.78 14.45 23.68 32.73

D2O -

C5D5N 123.44 135.43 149.84

溶剂峰 CHCl3 (CH3)2CO (CH3)2SO C6H6 CH3CN CH3OH C5H5N

215.94 30.89 39.39

119.68 1.47 49.50 149.18 125.12 138.27 21.15 175.26 62.32 13.92

21.04 171.36

CH3COOC2H5

60.49 14.19 CH2Cl2 n-hexane

53.52 14.14 22.70 31.64