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Table 4.A.1: Commonly Used Deuterated Solventsa
Adapted from the AM Series User's Manual (4-6)
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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 d-2
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