|
学有机化学的人对NMR一定很熟悉,我们也要经常要碰到解析NMR谱图。那就一定会碰到溶剂峰。本人在解析谱图时也碰到这些问题。所以把NMR中经常碰到的溶剂峰的数据整理了一下。
Solvent |
1H Chemical Shift (multiplicity) |
JHD (Hz) |
HOD in solvent (approx.) |
13C Chemical Shift (multiplicity) |
JCD |
B.P. (oC) |
M.P. (oC) |
||
Acetic Acid-d4 |
11.65 |
1 |
-- |
11.5 |
178.99 |
1 |
-- |
118 |
17 |
Acetone-d6 |
2.05 |
5 |
2.2 |
2.8 |
206.68 |
13 |
0.9 |
57 |
-94 |
Acetonitrile-d3 |
1.94 |
5 |
2.5 |
2.1 |
118.69 |
1 |
-- |
82 |
-45 |
Benzene-d6 |
7.16 |
1 |
-- |
0.4 |
128.39 |
3 |
24.3 |
80 |
5 |
Chloroform-d |
7.27 |
1 |
-- |
1.5 |
77.23 |
3 |
32.0 |
62 |
-64 |
Cyclohexane-d12 |
1.38 |
1 |
-- |
-- |
26.43 |
5 |
19 |
81 |
6 |
Deuterium Oxide |
4.80 (DSS) |
1 |
-- |
4.8 |
-- |
-- |
-- |
101.4 |
3.8 |
N,N-Dimethyl-formamide |
8.03 |
1 |
-- |
3.5 |
163.15 |
3 |
29.4 |
153 |
-61 |
Dimethyl Sulfoxide-d6 |
2.50 |
5 |
1.9 |
3.3 |
39.51 |
7 |
21.0 |
189 |
18 |
p-Dioxane-d6 |
3.53 |
m |
-- |
2.4 |
66.66 |
5 |
21.9 |
101 |
12 |
Ethanol-d6 |
5.29 |
1 |
-- |
5.3 |
-- |
-- |
-- |
79 |
<-130 |
Methanol-d4 |
4.87 |
1 |
-- |
4.9 |
-- |
-- |
-- |
65 |
-98 |
Methylene Chloride-d2 |
5.32 |
3 |
1.1 |
1.5 |
54.00 |
5 |
24.2 |
40 |
-95 |
Tetrahydrofuran-d8 |
3.58 |
1 |
-- |
2.4 - 2.5 |
67.57 |
5 |
22.2 |
66 |
-109 |
Toluene-d8 |
-- |
-- |
-- |
0.4 |
137.86 |
1 |
-- |
111 |
-95 |
Trifluoroacetic Acid-d |
11.50 |
1 |
-- |
11.5 |
164.2 |
4 |
|
72 |
-15 |
Trifluoroethanol-d3 |
5.02 |
1 |
-- |
5 |
126.3 |
4 |
-- |
75 |
- |
相关下载:
NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities
Archiver|手机版|科学网 ( 京ICP备07017567号-12 )
GMT+8, 2024-7-29 05:23
Powered by ScienceNet.cn
Copyright © 2007- 中国科学报社