Table 4.A.1: Commonly Used Deuterated Solvents
Adapted from the AM Series User’s Manual (4-6)
pdf download
| Name | Formula | 1H (ppm)* | Multiplicity* | 13C (ppm) | Multiplicity |
|---|---|---|---|---|---|
| Acetone-d6 | CD3COCD3 | 2.04 | Quintet (5) | 29.8(13CD3‘s) 206(13C=O |
(13) 7 |
| Benzene-d6 | C6D6 | 7.15 | 1 (broad) | 128 | 3 |
| Chloroform-d | CDCl3 | 7.24 | 1 | 77.0 | 3 |
| D2O | D2O | 4.60 / 4.79c | 1 | —- | —- |
| DMSO-d6 | CD3SOCD3 | 2.49 | 5 | 39.5 | 7 |
| MeOH-d4 | CD3OD | 4.78(O1H) 3.30b(C1HD2) |
1 5b |
49.0 | 7 |
| Methylene chloride d2 |
CD2Cl2 | 5.32 | 3 | 53.8 | 5 |
| Pyridine-d5 | C5D5N | 8.71 7.55 7.19 |
1 (broad) 1 (broad) 1 (broad) |
149.9 135.5 123.5 |
3 3 3 |
| THF | (CD2)4O | 3.58b(OC1HD) 1.73b(CC1HD) |
1 (broad) 1 (broad) |
67.4b(O13CD2) 25.3b(C13CD2) |
5 1 (broad> |
| Toluene-d8 | Ph-CD3 | 6.98-7.09(Ph) 2.09a(C1HD2) |
1 5 |
137.5b(13CCD3) 125-129b(o,m,p) 20.4b(13CD3) |
1 3 7 |
*residual proton signal of deuterated solvent
arelative to TMS = 0 ppm; chemical shifts may vary with solute, conc., & Temp. (e.g. O1H)
bMerck & Co., Inc. Isotopes, Handy Reference Data
cJ Org Chem 62:7513-7514 (1997) (Tables 1 & 2, includes J couplings)
See also: Spectral Database for Organic Compounds, SDBS, Solvents as Trace Impurities J. Org. Chem., (1997) 62: 7512.