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\(^1H\) NNR Solvent Shifts

  • Page ID
    22643
  • The following table lists Proton NMR Chemical Shifts of common laboratory solvents and impurities.

    proton mult, J (Hz) CDCl3 CD2Cl2 THF-d8 toluene-d8 C6D6 C6D5Cl (CD3)2CO (CD3)2SO CD3CN TFE-d3 CD3OD D2O
    solvent residual signals - - 7.26 5.32 1.72 2.08 7.16 6.96 2.05 2.5 1.94 5.02 3.31 4.79
    - - - - 3.58 6.97 - 6.99 - - - 3.88 - -
    - - - - - 7.01 - 7.14 - - - - - -
    - - - - - 7.09 - - - - - - - -
    water OH s 1.56 1.52 2.46 0.43 0.4 1.03 2.84 3.33 2.13 3.66 4.87 -
    acetic acid CH3 s 2.10 2.06 1.89 1.57 1.52 1.76 1.96 1.91 1.96 2.06 1.99 2.08
    acetone CH3 s 2.17 2.12 2.05 1.57 1.55 1.77 2.09 2.09 2.08 2.19 2.15 2.22
    acetonitrile CH3 s 2.10 1.97 1.95 0.69 0.58 1.21 2.05 2.07 1.96 1.95 2.03 2.06
    allyl acetate CHCH2 ddt 5.93 5.92 5.9 5.67 5.68 5.77 5.92 5.91 5.93 5.93 5.94 5.99
    CHCH2(1) ddt 5.32 5.31 5.27 5.05 5.06 5.15 5.29 5.29 5.29 5.32 5.30 5.37
    CHCH2(2) ddt 5.24 5.22 5.15 4.94 4.94 5.04 5.18 5.20 5.21 5.25 5.21 5.30
    CH2 ddd 4.57 4.55 4.50 4.34 4.38 4.44 4.53 4.52 4.53 4.58 4.56 4.62
    CH3 s 2.09 2.05 1.98 1.63 1.63 1.80 2.02 2.03 2.02 2.07 2.05 2.13
    benzaldehyde CHO s 10.03 10.01 9.98 9.57 9.64 9.77 10.05 10.02 10.01 9.88 10 9.96
    CH(2,6) m 7.88–7.91 7.87–7.89 7.86–7.88 7.45–7.47 7.49–7.53 7.59–7.61 7.92–7.94 7.91–7.93 7.89–7.91 7.90–7.92 7.90–7.93 7.97–7.99
    CH(3,5) m 7.51–7.57 7.53–7.57 7.51–7.55 6.95–6.99 6.93–6.99 7.15–7.19 7.59–7.63 7.61–7.67 7.57–7.61 7.56–7.59 7.56–7.60 7.57–7.66
    CH(4) m 7.61–7.65 7.63–7.67 7.60–7.64 7.03–7.07 7.01–7.07 7.24–7.28 7.69–7.73 7.69–7.75 7.67–7.71 7.68–7.72 7.66–7.70 7.76–7.80
    benzene CH s 7.36 7.35 7.31 7.12 7.15 7.20 7.36 7.37 7.37 7.36 7.33 -
    tert-butyl alcohol CH3 s 1.28 1.24 1.15 1.03 1.05 1.12 1.18 1.11 1.16 1.28 1.40 1.24
    OH s - - 3.16 0.58 0.63 1.30 - 4.19 2.18 2.20 - -
    tert-butyl methyl ether CCH3 s 1.19 - - - 1.07 - 1.13 1.11 1.14 - 1.15 1.21
    OCH3 s 3.22 - - - 3.04 - 3.13 3.08 3.13 - 3.20 3.22
    BHA ArH s 6.76 6.73 6.68 6.83 6.93 6.83 6.72 6.62 6.73 6.87 6.71 -
    OH s 4.76 4.76 5.64 4.45 4.53 4.62 5.65 6.52 4.98 - 4.85 -
    ArOCH3 s 3.77 3.73 3.68 3.48 3.48 3.61 3.72 3.66 3.72 3.79 3.72 -
    ArC(CH3)3 s 1.44 1.42 1.4 1.34 1.41 1.37 1.41 1.36 1.4 1.44 1.41 -
    BHT ArH s 6.98 6.97 6.92 6.99 7.05 6.97 6.96 6.87 6.97 7.06 6.92 -
    OH s 5.01 5.00 5.81 4.72 4.79 5.50 - 6.65 5.20 - - -
    ArCH3 s 2.27 2.25 2.21 2.23 2.24 2.20 2.22 2.18 2.22 2.24 2.21 -
    ArC(CH3)3 s 1.43 1.42 1.4 1.36 1.38 1.37 1.41 1.36 1.39 1.43 1.40 -
    chloroform CH s 7.26 7.32 7.89 6.10 6.15 6.74 8.02 8.32 7.58 7.33 7.90 -
    18-crown-6 CH2 s 3.67 3.59 3.57 3.36 3.39 3.41 3.59 3.51 3.51 3.64 3.64 3.80
    cyclohexane CH2 s 1.43 1.44 1.44 1.40 1.40 1.37 1.43 1.40 1.44 1.47 1.45 -
    cyclohexanone CH2(2,6) t 2.33 2.29 2.24 1.95 1.98 2.08 2.27 2.25 2.27 2.38 2.34 2.40
    CH2(3,5) m 1.84–1.86 1.81–1.87 1.77–1.82 1.33–1.39 1.28–1.37 1.48–1.53 1.79–1.83 1.74–1.78 1.79–1.84 1.87–1.92 1.85–1.87 1.85–1.90
    CH2(4) m 1.71–1.73 1.69–1.72 1.68–1.71 1.16–1.20 1.08–1.16 1.33–1.37 1.70–1.74 1.64–1.66 1.67–1.72 1.75–1.78 1.74–1.76 1.70–1.75
    diallyl carbonate CHCH2 ddt 5.94 5.95 5.92 5.63 5.65 5.75 5.96 5.93 5.96 5.92 5.94 5.99
    CHCH2(1) ddt 5.37 5.35 5.31 5.09 5.09 5.17 5.35 5.33 5.34 5.35 5.34 5.40
    CHCH2(2) ddt 5.27 5.26 5.19 4.92 4.92 5.03 5.23 5.25 5.25 5.28 5.25 5.32
    CH2 ddd 4.64 4.61 4.58 4.34 4.38 4.46 4.62 4.61 4.61 4.62 4.61 4.69
    1,2-dichloroethane CH2 s 3.73 3.76 3.77 2.91 2.90 3.26 3.87 3.90 3.81 3.71 3.78 -
    dichloromethane CH2 s 5.30 5.33 5.51 4.32 4.27 4.77 5.63 5.76 5.44 5.24 5.49 -
    diethyl ether CH3 t, 7 1.21 1.15 1.12 1.1 1.11 1.1 1.11 1.09 1.12 1.2 1.18 1.17
    CH2 q, 7 3.48 3.43 3.38 3.25 3.26 3.31 3.41 3.38 3.42 3.58 3.49 3.56
    diglyme CH2 m 3.65 3.57 3.43 3.43 3.46 3.49 3.56 3.51 3.53 3.67 3.61 3.67
    CH2 m 3.57 3.50 3.53 3.31 3.34 3.37 3.47 3.38 3.45 3.62 3.58 3.61
    OCH3 s 3.39 3.33 3.28 3.12 3.11 3.16 3.28 3.24 3.29 3.41 3.35 3.37
    1,2-dimethoxyethane CH3 s 3.4 3.34 3.28 3.12 3.12 3.17 3.28 3.24 3.28 3.4 3.35 3.37
    CH2 s 3.55 3.49 3.43 3.31 3.33 3.37 3.46 3.43 3.45 3.61 3.52 3.6
    dimethylacetamide CH3CO s 2.09 2.02 1.94 1.59 1.6 1.74 1.97 1.96 1.97 2.09 2.07 2.08
    NCH3 s 3.02 2.97 2.95 2.56 2.57 2.65 3.00 2.94 2.96 3.05 3.31 3.06
    NCH3 s 2.94 2.87 2.82 2.11 2.05 2.42 2.83 2.78 2.83 2.94 2.92 2.90
    dimethyl carbonate CH3 s 3.79 3.75 3.69 3.31 3.30 3.48 3.72 3.69 3.72 3.77 3.74 3.69
    dimethyl malonate CH3 s 3.75 3.72 3.65 3.24 3.23 3.41 3.68 3.65 3.68 3.76 3.72 3.78
    CH2 s 3.4 3.37 3.35 2.92 2.97 3.15 3.42 3.53 3.38 3.41 3.44 3.60
    dimethylformamide CH s 8.02 7.96 7.91 7.57 7.63 7.73 7.96 7.95 7.92 7.86 7.97 7.92
    CH3 s 2.88 2.82 2.76 1.96 1.86 2.30 2.78 2.73 2.77 2.88 2.86 2.85
    dimethyl sulfoxide CH3 s 2.62 2.55 2.45 1.64 1.68 2.03 2.52 2.54 2.50 2.63 2.65 2.71
    1,4-dioxane CH2 s 3.71 3.65 3.56 3.33 3.35 3.45 3.59 3.57 3.60 3.76 3.66 3.75
    ethane CH3 s 0.87 0.85 0.85 0.81 0.80 0.79 0.83 0.82 0.85 0.85 0.85 0.82
    ethanol CH3 t, 7 1.25 1.19 1.10 0.97 0.96 1.06 1.12 1.06 1.12 1.22 1.19 1.17
    CH2 q, 7 3.72 3.66 3.51 3.36 3.34 3.51 3.57 3.44 3.54 3.71 3.60 3.65
    OH s 1.32 1.33 3.30 0.83 0.50 1.39 3.39 4.63 2.47 - - -
    ethyl acetate CH3CO s 2.05 2.00 1.94 1.69 1.65 1.78 1.97 1.99 1.97 2.03 2.01 2.07
    CH2CH3 q, 7 4.12 4.08 4.04 3.87 3.89 3.96 4.05 4.03 4.06 4.14 4.09 4.14
    CH2CH3 t, 7 1.26 1.23 1.19 0.94 0.92 1.04 1.20 1.17 1.20 1.26 1.24 1.24
    ethyl methyl ketone CH3CO s 2.14 2.09 2.03 1.59 1.58 1.78 2.07 2.07 2.06 2.16 2.12 2.19
    CH2CH3 q, 7 2.46 2.43 2.39 1.82 1.81 2.06 2.45 2.43 2.43 2.49 2.5 3.18
    CH2CH3 t, 7 1.06 1.00 0.96 0.84 0.85 0.89 0.96 0.91 0.96 1.05 1.01 1.26
    ethylene CH2 s 5.40 5.40 5.36 5.25 5.25 5.29 5.38 5.41 5.41 5.40 5.39 5.44
    ethylene glycol CH2 s 3.76 3.66 3.48 3.36 3.41 3.58 3.28 3.34 3.51 3.72 3.59 3.65
    furan CH(2,5) dd 7.45 7.46 7.48 7.10 7.13 7.24 7.56 7.67 7.52 7.44 7.49 7.57
    CH(3,4) dd 6.40 6.41 6.37 6.07 6.08 6.19 6.43 6.47 6.44 6.42 6.40 6.51
    H grease CH3 m 0.84–0.87 0.84–0.90 0.85–0.91 0.89–0.96 0.90–0.98 0.86–0.92 0.90 0.82–0.88 - 0.88–0.94 0.86–0.93 -
    CH2 br s 1.25 1.27 1.29 1.33 1.32 1.30 1.29 1.24 - 1.33 1.29 -
    hexamethylbenzene CH3 s 2.24 2.20 2.18 2.10 2.13 2.10 2.17 2.14 2.19 2.24 2.19 -
    hexamethyldisiloxane CH3 s 0.07 0.07 0.07 0.10 0.12 0.10 0.07 0.06 0.07 0.08 0.07 0.28
    n-hexane CH3 t,7 0.88 0.89 0.89 0.88 0.89 0.85 0.88 0.86 0.89 0.91 0.90 -
    CH2 m 1.26 1.27 1.29 1.22 1.24 1.19 1.28 1.25 1.28 1.31 1.29 -
    HMPA CH3 d, 9.50 2.65 2.60 2.58 2.42 2.40 2.47 2.59 2.53 2.57 2.63 2.64 2.61
    hydrogen H2 s 4.62 4.59 4.55 4.50 4.47 4.49 4.54 4.61 4.57 4.53 4.56 -
    imidazole CH(2) s 7.67 7.63 7.48 7.30 7.33 7.53 7.62 7.63 7.57 7.61 7.67 7.78
    CH(4,5) s 7.1 7.07 6.94 6.86 6.90 7.01 7.04 7.01 7.01 7.03 7.05 7.14
    methane CH4 s 0.22 0.21 0.19 0.17 0.16 0.15 0.17 0.20 0.20 0.18 0.20 0.18
    methanol CH3 s 3.49 3.42 3.27 3.03 3.07 3.25 3.31 3.16 3.28 3.44 3.34 3.34
    OH s 1.09 1.09 3.02 - - 1.30 3.12 4.01 2.16 - - -
    nitromethane CH3 s 4.33 4.31 4.31 3.01 2.94 3.59 4.43 4.42 4.31 4.28 4.34 4.40
    n-pentane CH3 t, 7 0.88 0.89 0.89 0.87 0.87 0.84 0.88 0.86 0.89 0.90 0.90 -
    CH2 m 1.27 1.30 1.31 1.25 1.23 1.23 1.27 1.27 1.29 1.33 1.29 -
    propane CH3 t, 7.3 0.90 0.90 0.90 0.89 0.86 0.84 0.88 0.87 0.90 0.90 0.91 0.88
    CH2 sept, 7.3 1.32 1.32 1.33 1.32 1.26 1.26 1.31 1.29 1.33 1.33 1.34 1.30
    2-propanol CH3 d, 6 1.22 1.17 1.08 0.95 0.95 1.04 1.10 1.04 1.09 1.20 1.15 1.17
    CH sept, 6 4.04 3.97 3.82 3.65 3.67 3.82 3.90 3.78 3.87 4.05 3.92 4.02
    propylene CH3 dt, 6.4, 1.5 1.73 1.71 1.69 1.55 1.55 1.58 1.68 1.68 1.70 1.70 1.70 1.70
    CH2(1) dm, 10 4.94 4.93 4.89 4.92 4.95 4.91 4.90 4.94 4.93 4.93 4.91 4.95
    CH2(2) dm, 17 5.03 5.03 4.99 4.98 5.01 4.98 5.00 5.03 5.04 5.03 5.01 5.06
    CH m 5.83 5.84 5.79 5.70 5.72 5.72 5.81 5.80 5.85 5.87 5.82 5.90
    pump oil CH3 m 0.83–0.89 0.84–0.89 0.86–0.90 0.88–0.96 0.91–0.97 0.88–0.91 0.87 0.74 0.85 0.99 0.86–0.91 -
    CH2 br s 1.26 1.27 1.29 1.30 1.37 1.31 1.29 1.15 1.27 1.41 1.29 -
    pyridine CH(2,6) m 8.62 8.59 8.54 8.47 8.53 8.51 8.58 8.58 8.57 8.45 8.53 8.52
    CH(3,5) m 7.29 7.28 7.25 6.67 6.66 6.90 7.35 7.39 7.33 7.40 7.44 7.45
    CH(4) m 7.68 7.68 7.65 6.99 6.98 7.25 7.76 7.79 7.73 7.82 7.85 7.87
    pyrrole NH br t 8.40 8.69 9.96 7.71 7.80 8.61 10.02 10.75 9.27 - - -
    CH(2,5) m 6.83 6.79 6.66 6.43 6.48 6.62 6.77 6.73 6.75 6.84 6.72 6.93
    CH(3,4) m 6.26 6.19 6.02 6.27 6.37 6.27 6.07 6.01 6.10 6.24 6.08 6.26
    pyrrolidine CH2(2,5) m 2.87 2.82 2.75 2.54 2.54 2.64 - 2.67 2.75 3.11 2.80 3.07
    CH2(3,4) m 1.68 1.67 1.59 1.36 1.33 1.43 - 1.55 1.61 1.93 1.72 1.87
    silicone grease CH3 s 0.07 0.09 0.11 0.26 0.29 0.14 0.13 -0.06 0.08 0.16 0.1 -
    tetrahydrofuran CH2(2,5) m 3.76 3.69 3.62 3.54 3.57 3.59 3.63 3.60 3.64 3.78 3.71 3.74
    CH2(3,4) m 1.85 1.82 1.79 1.43 1.40 1.55 1.79 1.76 1.8 1.91 1.87 1.88
    toluene CH3 s 2.36 2.34 2.31 2.11 2.11 2.16 2.32 2.30 2.33 2.33 2.32 -
    CH(2,4,6) m 7.17 7.15 7.10 6.96–7.01 7.02 7.01–7.08 7.10–7.20 7.18 7.10–7.30 7.10–7.30 7.16 -
    CH(3,5) m 7.25 7.24 7.19 7.09 7.13 7.10–7.17 7.10–7.20 7.25 7.10–7.30 7.10–7.30 7.16 -
    triethylamine CH3 t, 7 1.03 0.99 0.97 0.95 0.96 0.93 0.96 0.93 0.96 1.31 1.05 0.99
    CH2 q, 7 2.53 2.48 2.46 2.39 2.4 2.39 2.45 2.43 2.45 3.12 2.58 2.57
    1. Gottlieb, H. E.; Kotlyar, V.; Nudelman, A. J. Org. Chem. 1997, 62, 7512-7515.
    2. Fulmer, G. R.; Miller, A. J. M.; Sherden, N. H.; Gottlieb, H. E.; Nudelman, A.; Stoltz, B. M.; Bercaw, J. E.; Goldberg, K. I. Organometallics 2010, 29, 2176-2179.

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