La spectroscopie RMN est devenue l'un des instruments les plus importants dans le domaine de l'élucidation moderne de la structure des composés les plus divers. Elle permet, entre autres, d'élucider les structures moléculaires, de déterminer l'identité et la pureté des substances, de définir les conformations moléculaires et d'étudier les interactions intermoléculaires. D'une manière générale, la méthode sert à étudier l'environnement électronique des atomes individuels et donne ainsi un aperçu des interactions entre les atomes voisins. Certains facteurs tels que la solubilité de l'échantillon, la teneur en eau et la viscosité du solvant ou encore la position des signaux du solvant dans le spectre doivent être pris en compte, notamment lors du choix du solvant approprié.
Pour aider les laboratoires à réaliser de telles analyses, Carl ROTH propose une série de solvants deutérés, d'acides et de bases ainsi que des accessoires pour la spectroscopie RMN.
Pour aider les laboratoires à réaliser de telles analyses, Carl ROTH propose une série de solvants deutérés, d'acides et de bases ainsi que des accessoires pour la spectroscopie RMN.

Avantages :
- Degré de deutérisation élevé
- Teneur en eau définie
- Bon rapport qualité-prix
Applications :
- Tâches de routine telles que la détermination de la constitution et le contrôle de l'identité dans les laboratoires de recherche et de développement
- Élucidation de mécanismes de réaction et de métabolismes
- Pour GC-MS ou LC-MS comme standards internes
Dans le panier

Brochure de présentation de la spectroscopie RMN
Déplacements chimiques de solvants courants comme impuretés à létat de traces en spectroscopie RMN
Ces tableaux présentent les déplacements RMN des solvants et impuretés couramment utilisés dans les protocoles de synthèse et de traitement organiques, mesurés dans les 7 solvants deutérés les plus fréquemment utilisés.

Tableau de déplacements chimiques et couplages RMN 1H
Proton | Mult. | CDCl3 | (CD3)2CO | (CD3)2SO | C6D6 | CD3CN | CD3OD | D2O | |
Solvent residual peak |
- | - | 7.26 | 2.05 | 2.50 | 7.16 | 1.94 | 3.31 | 4.79 |
H2O | - | s | 1.56 | 2.84 | 3.33 | 0.40 | 2.13 | 4.87 | - |
Acetic acid | CH3 | s | 2.10 | 1.96 | 1.91 | 1.55 | 1.96 | 1.99 | 2.08 |
Acetone | CH3 | s | 2.17 | 2.09 | 2.09 | 1.55 | 2.08 | 2.15 | 2.22 |
Acetonitrile | CH3 | s | 2.10 | 2.05 | 2.07 | 1,55 | 1.96 | 2.03 | 2.06 |
Benzene | CH | s | 7.36 | 7.36 | 7.36 | 7.15 | 7.37 | 7.33 | - |
Benzyl alcohol | CH CH CH2 OH |
m m d, 5.9 t, 5.9 |
7.28−7.38 7.28−7.38 4.71 1.64 |
7.29−7.37 7.20−7.25 4.63 4.16 |
7.28−7.36 7.20−7.25 4.49 5.16 |
- - - - |
7.30−7.37 7.23−7.29 4.57 3.14 |
7.30−7.36 7.22−7.26 4.59, s |
7.37−7.47 7.37−7.47 4.65, s |
tert-Butanol | CH3 OH |
s s |
1.27 - |
1.18 3.22 |
1.11 4.18 |
1.05 1.55 |
1.17 2.39 |
1.22 - |
1.25 - |
2-Butanone (MEK) | CH3CO CH2 CH2CH3 |
s q, 7 t, 7 |
2.14 2.46 1.06 |
2.07 2.45 0.96 |
2.07 2.43 0.91 |
1.58 1.81 0.85 |
2.06 2.43 0.96 |
2.12 2.50 1.01 |
2.19 3.18 1.26 |
tert-Butyl methyl ether (MTBE) |
CCH3 OCH3 |
s s |
1.19 3.22 |
1.13 3.13 |
1.11 3.08 |
1.07 3.04 |
1.14 3.13 |
1.15 3.20 |
1.21 3.22 |
Chlorobenzene | CH | m | 7.22−7.36 | 7.31−7.42 | 7.32−7.45 | - | 7.29−7.41 | 7.25−7.37 | 7.33−7.46 |
Chloroform | CH | s | 7.26 | 8.02 | 8.32 | 6.15 | 7.58 | 7.90 | - |
Cyclohexane | CH2 | s | 1.43 | 1.43 | 1.40 | 1.40 | 1.44 | 1.45 | - |
Cyclopentyl methyl ether (CPME) |
CH OCH3 CH2 |
m s m |
3.78−3.82 3.28 1.50−1.74 |
3.73−3.77 3.19 1.44−1.72 |
3.71−3.76 3.15 1.42−1.67 |
- - - |
3.74−3.78 3.19 1.48−1.70 |
3.80−3.85 3.26 1.50−1.77 |
3.94−3.99 3.30 1.51−1.86 |
1,2-Dichloroethane | CH2 | s | 3.73 | 3.87 | 3.90 | 2.90 | 3.81 | 3.78 | - |
Dichloromethane | CH2 | s | 5.30 | 5.63 | 5.76 | 4.27 | 5.44 | 5.49 | - |
Diethyl ether | CH3 CH2 |
t, 7 q, 7 |
1.21 3.48 |
1.11 3.41 |
1.09 3.38 |
1.11 3.26 |
1.12 3.42 |
1.18 3.49 |
1.17 3.56 |
1,2-Dimethoxyethane | CH3 CH2 |
s s |
3.40 3.55 |
3.28 3.46 |
3.24 3.43 |
3.12 3.33 |
3.28 3.45 |
3.35 3.52 |
3.37 3.60 |
Dimethylacetamide | CH3CO NCH3 NCH3 |
s s s |
2.09 3.02 2.94 |
1.97 3.00 2.83 |
1.96 2.94 2.78 |
1.60 2.54 2.05 |
1.97 2.96 2.83 |
2.07 3.30 2.92 |
2.08 3.06 2.90 |
Dimethylformamide | CH CH3 CH3 |
s s s |
8.02 2.96 2.88 |
7.96 2.94 2.78 |
7.95 2.89 2.73 |
7.63 2.36 1.86 |
7.92 2.89 2.77 |
7.97 2.99 2.86 |
7.92 3.01 2.85 |
Dimethyl sulfoxide | CH3 | s | 2.62 | 2.52 | 2.54 | 1.68 | 2.50 | 2.65 | 2.71 |
Dioxane | CH2 | s | 3.71 | 3.59 | 3.57 | 3.35 | 3.60 | 3.66 | 3.75 |
Ethanol | CH3 CH2 OH |
t, 7 q, 7 s |
1.25 3.72 1.32 |
1.12 3.57 3.39 |
1.06 3.44 4.63 |
0.96 3.34 - |
1.12 3.54 2.47 |
1.19 3.60 - |
1.17 3.65 - |
Ethyl acetate | CH3CO CH2CH3 CH2CH3 |
s q, 7 t, 7 |
2.05 4.12 1.26 |
1.97 4.05 1.20 |
1.99 4.03 1.17 |
1.65 3.89 0.92 |
1.97 4.06 1.20 |
2.01 4.09 1.24 |
2.07 4.14 1.24 |
Ethylene glycol | CH | s | 3.67 | 3.28 | 3.34 | 3.41 | 3.51 | 3.59 | 3.65 |
“Grease” | CH3 CH2 |
m brs |
0.86 1.26 |
0.87 1.29 |
- - |
0.92 1.36 |
0.86 1.27 |
0.88 1.29 |
- - |
n-Hexane | CH3 CH2 |
t m |
0.88 1.26 |
0.88 1.28 |
0.86 1.25 |
0.89 1.24 |
0.89 1.28 |
0.90 1.29 |
- - |
Methanol | CH3 OH |
s s |
3.49 1.09 |
3.31 3.12 |
3.16 4.01 |
3.07 - |
3.28 2.16 |
3.34 - |
3.34 - |
Nitromethane | CH3 | s | 4.33 | 4.43 | 4.42 | 2.94 | 4.31 | 4.34 | 4.40 |
n-Pentane | CH3 CH2 |
t, 7 m |
0.88 1.27 |
0.88 1.27 |
0.86 1.27 |
0.87 1.23 |
0.89 1.29 |
0.90 1.29 |
- - |
2-Propanol | CH CH3 OH |
septd, 6.1, 4.3 d, 6.1 d, 4.3 |
4.03, sept (6.1) 1.21 - |
3.84−3.95, m 1.10 3.39 |
3.77 1.04 4.34 |
- - - |
3-89 1.09 2.51 |
3.92, sept (6.1) 1.15 - |
4.02, sept (6.2) 1.18 - |
Pyridine | CH (2) CH (3) CH (4) |
m m m |
8.62 7.29 7.68 |
8.58 7.35 7.76 |
8.58 7.39 7.79 |
8.53 6.66 6.98 |
8.57 7.33 7.73 |
8.53 7.44 7.85 |
8.52 7.45 7.87 |
Silicone grease | CH3 | s | 0.07 | 0.13 | - | 0.29 | 0.08 | 0.10 | - |
Tetrahydrofuran | CH2 CH2O |
m m |
1.85 3.76 |
1.79 3.63 |
1.76 3.60 |
1.40 3.57 |
1.80 3.64 |
1.87 3.71 |
1.88 3.74 |
Toluene | CH3 CH (o/p) CH (m) |
s m m |
2.36 7.17 7.25 |
2.32 7.1−7.2 7.1−7.2 |
2.30 7.18 7.25 |
2.11 7.02 7.13 |
2.33 7.1−7.3 7.1−7.3 |
2.32 7.16 7.16 |
- - - |
Triethylamine | CH3 CH2 |
t, 7 q, 7 |
1.03 2.53 |
0.96 2.45 |
0.93 2.43 |
0.96 2.40 |
0.96 2.45 |
1.05 2.58 |
0.99 2.57 |
Xylenes | |||||||||
o-Xylene | CH CH3 |
m s |
7.08−7.14 2.26 |
7.03−7.12 2.23 |
7.04−7.14 2.21 |
- - |
7.05−7.15 2.25 |
7.01−7.10 2.24 |
- - |
m-Xylene | CH (5) CH (2,4,6) CH3 |
t, 7.5 m s |
7.15 6.96−7.00 2.32 |
7.15 6.94−6.99 2.27 |
7.13 6.95−6.99 2.26 |
- - - |
7.13 6.96−7.01 2.28 |
7.08 6.92−6.97 2.27 |
7.24 7.07−7.14 2.31 |
p-Xylene | CH CH3 |
s s |
7.06 2.31 |
7.05 2.26 |
7.05 2.24 |
- - |
7.06 2.27 |
7.02 2.26 |
7.18 2.30 |
Tableau de déplacements chimiques et couplages RMN 13C
Carbon | CDCl3 | (CD3)2CO | (CD3)2SO | C6D6 | CD3CN | CD3OD | D2O | |
Solvent residual peak | - | 77.16 ±0.06 | 29.84 ±0.01 206.26 ±0.13 |
39.52 ±0.06 | 128.06 ±0.02 | 1.32 ±0.02 118.26 ±0.02 |
49.00 ±0.01 | - |
Acetic acid | CO CH3 |
175.99 20.81 |
172.31 20.51 |
171.93 20.95 |
175.82 20.37 |
173.21 20.73 |
175.11 20.56 |
177.21 21.03 |
Acetone | CN CH3 |
207.07 30.92 |
205.87 30.60 |
206.31 30.56 |
204.43 30.14 |
207.43 30.91 |
209.67 30.67 |
215.94 30.89 |
Acetonitrile | CN CH3 |
116.43 1.89 |
117.60 1.12 |
117.91 1.03 |
116.20 0.20 |
118.26 1.79 |
118.06 0.85 |
119.68 1.47 |
Benzene | CH | 128.37 | 129.15 | 128.30 | 128.62 | 129.32 | 129.34 | - |
Benzyl alcohol | C (1) CH (3,5) CH (4) CH (2,6) CH2 |
140.98 128.54 127.61 126.98 65.31 |
143.52 128.92 127.55 127.35 64.68 |
142.44 127.92 126.50 126.31 62.82 |
- - - - - |
143.17 129.26 127.97 127.69 64.76 |
142.74 129.37 128.28 128.01 65.28 |
140.84 129.34 128.43 128.06 64.51 |
tert-Butanol | C CH3 |
69.15 313.25 |
68.13 30.72 |
66.88 30.88 |
68.19 30.47 |
68.74 30.68 |
69.40 30.91 |
70.36 30.29 |
2-Butanone (MEK) | CH3CO CO CH2 CH2CH3 |
29.49 209.56 36.89 7.86 |
29.30 208.30 36.75 8.03 |
29.26 208.70 35.83 7.61 |
28.56 206.55 36.36 7.91 |
29.60 209.88 37.09 8.14 |
29.39 212.16 37.34 8.09 |
29.49 218.43 37.27 7.87 |
tert-Butyl methyl ether (MTBE) |
OCH3 C CCH3 |
49.45 72.87 26.99 |
49.35 72.81 27.24 |
48.70 72.04 26.79 |
49.19 72.40 27.09 |
49.52 73.17 27.28 |
49.66 74.32 27.22 |
49.37 75.62 26.60 |
Chlorobenzene | C (1) CH (3,5) CH (2,6) CH (4) |
134.29 129.71 128.62 126.43 |
134.63 130.94 129.30 127.65 |
133.00 130.20 128.30 126.92 |
- - - - |
134.74 131.10 129.45 127.83 |
135.31 131.00 129.56 127.73 |
- - - - |
Chloroform | CH | 77.36 | 79.19 | 79.16 | 77.79 | 79.17 | 79.44 | - |
Cyclohexane | CH2 | 26.94 | 27.51 | 26.33 | 27.23 | 27.63 | 27.96 | - |
Cyclopentyl methyl ether (CPME) |
CH CH3 CH2 (2,5) CH2 (3,4) |
83.03 54.30 31.97 23.55 |
83.35 56.18 32.51 24.14 |
81.92 55.47 31.35 23.05 |
- - - - |
83.62 56.38 32.63 24.28 |
84.47 56.55 32.85 24.45 |
84.40 56.04 31.87 23.61 |
1,2-Dichloroethane | CH2 | 43.50 | 45.25 | 45.02 | 43.59 | 45.54 | 45.11 | - |
Dichloromethane | CH2 | 53.52 | 54.95 | 54.84 | 53.46 | 55.32 | 54.78 | - |
Diethyl ether | CH3 CH2 |
15.20 65.91 |
15.75 66.12 |
15.12 62.05 |
15.46 65.94 |
15.63 66.32 |
15.46 66.88 |
14.77 66.42 |
1,2-Dimethoxyethane | CH3 CH2 |
59.08 71.84 |
58.45 72.47 |
58.01 17.07 |
58.68 72.21 |
58.89 72.47 |
59.06 72.72 |
58.67 71.49 |
Dimethylacetamide | CH3 CO NCH3 NCH3 |
21.53 171.07 35.28 38.13 |
21.51 170.61 34.89 37.92 |
21.29 169.54 37.38 34.42 |
21.16 169.95 34.67 37.03 |
21.76 171.31 35.17 38.26 |
21.32 173.32 35.50 38.43 |
21.09 174.57 35.03 38.76 |
Dimethylformamide | C CH3 CH3 |
162.62 36.50 31.45 |
162.79 36.15 31.03 |
162.29 35.73 30.73 |
162.13 35.25 30.72 |
163.31 36.57 31.32 |
164.73 36.89 31.61 |
165.53 37.54 32.03 |
Dimethyl sulfoxide | CH3 | 40.76 | 41.23 | 40.45 | 40.03 | 41.31 | 40.45 | 39.39 |
Dioxane | CH2 | 67.14 | 67.60 | 66.36 | 67.16 | 67.72 | 68.11 | 67.19 |
Ethanol | CH3 CH2 |
18.41 58.28 |
18.89 57.72 |
18.51 56.07 |
18.72 57.86 |
18.80 57.96 |
18.40 58.26 |
17.47 58.05 |
Ethyl acetate | CH3CO CO CH2 CH2 |
21.04 171.36 60.49 14.19 |
20.83 170.96 60.56 14.50 |
20.68 170.31 59.74 14.40 |
20.56 170.44 60.21 14.19 |
21.16 171.68 60.98 14.54 |
20.88 172.89 61.50 14.49 |
21.15 175.26 62.32 13.92 |
Ethylene glycol | CH2 | 63.79 | 64.26 | 62.76 | 64.34 | 64.22 | 64.30 | 63.17 |
“Grease” | CH2 | 29.76 | 30.73 | 29.20 | 30.21 | 30.86 | 31.29 | - |
n-Hexane | CH3 CH2 (2) CH2 (3) |
14.14 22.70 31.64 |
14.34 23.28 32.30 |
13.88 22.05 30.95 |
14.32 23.04 31.96 |
14.43 23.40 32.36 |
14.45 23.68 32.73 |
- - - |
Methanol | CH3 | 50.41 | 49.77 | 48.59 | 49.97 | 49.90 | 49.86 | 49.50 |
Nitromethane | CH3 | 62.50 | 53.21 | 63.28 | 61.16 | 63.66 | 63.08 | 63.22 |
n-Pentane | CH3 CH2 (2) CH2 (3) |
14.08 22.38 34.16 |
14.29 22.98 34.83 |
13.28 21.70 33.48 |
14.25 22.81 34.45 |
14.37 23.08 34.89 |
14.39 23.38 35.30 |
- - - |
2-Propanol | CH3 CH |
25.14 64.50 |
25.67 63.85 |
25.43 64.92 |
25.18 64.23 |
25.55 64.30 |
25.27 64.71 |
24.38 64.88 |
Pyridine | CH (2) CH (3) CH (4) |
149.90 123.75 135.96 |
150.67 124.57 136.56 |
149.58 123.84 136.05 |
150.27 123.58 123.28 |
150.76 127.76 136.89 |
150.07 125.53 138.35 |
149.18 125.12 138.27 |
Silicone grease | CH3 | 1.04 | 1.40 | - | 1.38 | - | 2.10 | - |
Tetrahydrofuran | CH2 CH2O |
25.62 67.97 |
26.15 68.07 |
25.14 67.03 |
25.72 67.80 |
26.27 68.33 |
26.48 68.83 |
25.67 68.68 |
Toluene | CH3 CH (i) CH (o) CH (m) CH (p) |
21.46 137.89 129.07 128.26 125.33 |
21.46 138.48 129.76 129.03 126.12 |
20.99 137.35 128.88 128.18 125.29 |
21.10 137.91 129.33 128.56 125.68 |
21.50 138.90 129.94 129.23 126.28 |
21.50 138.85 129.91 129.20 126.29 |
- - - - - |
Triethylamine | CH3 CH2 |
11.61 46.25 |
12.49 47.07 |
11.74 45.74 |
12.35 46.77 |
12.38 47.10 |
11.09 46.96 |
9.07 47.19 |
Xylenes | ||||||||
o-Xylene | C (1,2) CH (3,6) CH (4,5) CH3 |
136.49 129.59 125.79 19.71 |
137.03 130.28 126.58 19.68 |
135.91 129.29 125.61 19.24 |
- - - - |
137.51 130.46 126.78 19.79 |
137.37 130.47 126.81 19.77 |
- - - - |
m-Xylene | C (1,3) CH (2) CH (5) CH (4,6) CH3 |
137.78 129.91 128.15 126.04 21.33 |
138.34 130.52 128.93 126.78 21.32 |
137.07 129.51 127.98 125.83 20.83 |
- - - - - |
138.80 130.71 129.16 126.95 21.40 |
138.79 130.70 129.13 126.99 21.42 |
- - - - - |
p-Xylene | C (1,4) CH (2,3,5,6) CH3 |
134.67 128.92 20.94 |
135.27 129.65 20.94 |
134.03 128.69 20.49 |
- - - |
135.68 129.85 21.00 |
135.71 129.84 21.02 |
- - - |
Références
- Gottlieb, H. E.; Kotlyar, V.; Nudelman, A.; J.Org.Chem. , 1997, 62 , 7512.
- Babij, N. R.; McCusker, E. O.; Whiteker, G. T.; Canturk, B.; Choy, N.; Creemer, L. C.; Amicis, C. V. D.; Hewlett, N. M.; Johnson, P. L.; Knobelsdorf, J. A.; Li, F.; Lorsbach, B. A.; Nugent, B. M.; Ryan, S. J.; Smith, M. R.; Yang, Q. Org. Process Res. Dev. 2016, 20 , 661– 667.