Boyer Research
Tools Menu

1H NMR Shift Data for Common Impurities

Switch to 13C.
Click on the solvent name to sort by that solvent. Click on "name" to sort alphabetically.

Name acetone‑d6CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNC6D5ClTFE‑d3
residual solvent2.057.267.097.163.314.792.503.585.321.947.145.02
  7.01    1.72  6.993.88
  6.97       6.96 
  2.08         
HODOH            
acetoneCH3  2.171.571.552.152.222.092.052.122.081.77 
acetonitrileCH3  2.100.691.552.032.06 1.951.971.96  
allyl acetateCHCH2  5.935.675.68  5.915.905.92 5.775.93
allyl acetateCHCH2(1)  5.325.055.06  5.295.275.31 5.155.32
allyl acetateCHCH2(2)  5.244.944.94  5.205.155.22 5.045.25
allyl acetateCH2  4.574.344.384.56 4.524.504.55 4.444.58
allyl acetateCH3  2.091.631.632.05 2.031.982.05 1.802.07
benzaldehydeHCO  10.039.579.6410.00 10.029.9810.01 9.779.88
benzaldehydeCH(2,6) 7.937.907.467.517.92 7.927.877.88 7.607.91
benzaldehydeCH(4) 7.717.637.057.047.68 7.727.627.65 7.267.70
benzaldehydeCH(3,5) 7.617.546.976.967.58 7.647.537.55 7.177.58
benzeneCH 7.367.367.127.157.33 7.377.317.357.377.207.36
tert-butanolOH  0.581.55  4.193.16 2.181.302.20
tert-butyl methyl etherCCH3   1.071.151.21   1.14  
tert-butyl methyl etherOCH3   3.043.203.22   3.13  
pyrroleNH 10.028.407.717.80  10.759.968.69 8.61 
pyridineCH(2,6) 8.588.628.478.538.538.528.588.548.598.578.518.45
Name acetone‑d6CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNC6D5ClTFE‑d3
dimethylformamideCH 7.968.027.577.637.977.927.957.917.967.927.737.86
furanCH(2,5)7.567.457.107.137.49 7.677.487.46 7.247.44
pyridineCH(3,5) 7.357.296.676.667.447.457.397.257.287.336.907.40
tolueneCH(2,4,6)7.157.176.997.027.16 7.187.107.157.207.057.20
imidazoleCH(4,5) 7.047.106.866.907.05 7.016.947.07 7.017.03
BHTArH 6.966.986.997.056.92 6.876.926.976.976.977.06
BHTOH 5.014.724.79  6.655.815.005.205.50 
chloroformCH 8.027.266.106.157.90 8.327.897.327.586.747.33
pyridineCH(4) 7.767.686.996.987.857.877.797.657.687.737.257.82
imidazoleCH(2) 7.627.677.307.337.67 7.637.487.63 7.537.61
tolueneCH(3,5)7.157.257.097.137.16 7.257.197.247.207.147.20
pyrroleCH(2,5) 6.776.836.436.486.72 6.736.666.79 6.626.84
BHAArH 6.726.766.836.936.71 6.626.686.73 6.836.87
furanCH(3,4)6.436.406.076.086.40 6.476.376.41 6.196.42
pyrroleCH(3,4) 6.076.266.276.376.08 6.016.026.19 6.276.24
diallyl carbonateCHCH2 5.965.945.635.655.94 5.935.925.95 5.755.92
propyleneCH 5.815.835.705.725.82 5.805.795.84 5.725.87
BHAOH5.654.764.454.534.85 6.525.644.76 4.62 
dichloromethaneCH2 5.635.304.324.275.49 5.765.515.335.444.775.24
ethyleneCH2 5.385.405.255.255.39 5.415.365.40 5.295.40
diallyl carbonateCHCH2(1) 5.355.375.095.095.34 5.335.315.35 5.175.35
diallyl carbonateCHCH2(2) 5.235.274.924.925.25 5.255.195.26 5.035.28
propyleneCH2(2)5.005.034.985.015.01 5.034.995.03 4.985.03
propyleneCH2(1)4.904.944.924.954.91 4.944.894.93 4.914.93
Name acetone‑d6CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNC6D5ClTFE‑d3
diallyl carbonateCH2 4.624.644.344.384.61 4.614.584.61 4.464.62
hydrogenH4.544.624.504.474.56 4.614.554.59 4.494.53
nitromethaneCH3 4.434.333.012.944.344.404.424.314.314.313.594.28
ethyl acetateCH2CH34.054.123.873.894.094.144.034.044.084.063.964.14
2-propanolCH3.904.043.653.673.924.023.783.823.973.873.824.05
1,2-dichloroethaneCH2 3.873.732.912.903.78 3.903.773.763.813.263.71
BHAArOCH3 3.723.773.483.483.72 3.663.683.73 3.613.79
dimethyl carbonateCH3 3.723.793.313.303.74 3.693.693.75 3.483.77
dimethyl malonateCH3 3.683.753.243.233.72 3.653.653.72 3.413.76
tetrahydrofuranCH2(2,5) 3.633.763.543.573.713.743.603.623.693.643.593.78
18-crown-6CH2 3.593.673.363.393.64 3.513.573.59 3.413.64
1,4-dioxaneCH2 3.593.713.333.353.663.753.573.563.653.603.453.76
ethanolCH23.573.723.363.343.603.653.443.513.663.543.513.71
diglymeCH2 3.563.653.433.463.613.673.513.433.573.533.493.67
diglymeCH2 3.473.573.313.343.583.613.383.533.503.453.373.62
1,2-dimethoxyethaneCH2 3.463.553.313.333.523.603.433.433.493.453.373.61
dimethyl malonateCH2 3.423.402.922.973.44 3.533.353.37 3.153.41
diethyl etherCH23.413.483.253.263.493.563.383.383.433.423.313.58
ethanolOH3.391.320.830.50  4.633.301.332.471.39 
methanolCH33.313.493.033.073.343.343.163.273.423.283.253.44
diglymeOCH3 3.283.393.123.113.353.373.243.283.333.293.163.41
1,2-dimethoxyethaneCH3 3.283.403.123.123.353.373.243.283.343.283.173.40
ethylene glycolCH23.283.763.363.413.593.653.343.483.663.513.583.72
Name acetone‑d6CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNC6D5ClTFE‑d3
methanolOH3.121.09    4.013.021.092.161.30 
dimethylacetamideNCH3 3.003.022.562.573.313.062.942.952.972.962.653.05
dimethylformamideCH3 2.942.962.372.362.993.012.892.882.912.892.512.98
H2OOH2.841.560.430.404.87 3.332.461.522.131.03 
dimethylacetamideNCH3 2.832.942.112.052.922.902.782.822.872.832.422.94
dimethylformamideCH3 2.782.881.961.862.862.852.732.762.822.772.302.88
HMPACH32.592.652.422.402.642.612.532.582.602.572.472.63
dimethyl sulfoxideCH3 2.522.621.641.682.652.712.542.452.552.502.032.63
ethyl methyl ketoneCH2CH32.452.461.821.812.503.182.432.392.432.432.062.49
triethylamineCH22.452.532.392.402.582.572.432.462.482.452.393.12
tolueneCH32.322.362.112.112.32 2.302.312.342.332.162.33
cyclohexanoneCH2(2,6) 2.272.331.951.982.34 2.252.242.29 2.082.38
BHTArCH3 2.222.272.232.242.21 2.182.212.252.222.202.24
hexamethylbenzeneCH3 2.172.242.102.132.19 2.142.182.20 2.102.24
ethyl methyl ketoneCH3CO 2.072.141.591.582.122.192.072.032.092.061.782.16
dimethylacetamideCH3CO 1.972.091.591.602.072.081.961.942.021.971.742.09
ethyl acetateCH3CO1.972.051.691.652.012.071.991.942.001.971.782.03
acetic acidCH31.962.101.571.551.992.081.911.892.061.961.76 
cyclohexanoneCH2(3,5) 1.811.851.361.331.86 1.761.801.84 1.511.90
tetrahydrofuranCH2(3,4) 1.791.851.431.401.871.881.761.791.821.801.551.91
cyclohexanoneCH2(4) 1.721.721.181.121.75 1.651.701.71 1.351.77
propyleneCH31.681.731.551.551.70 1.681.691.71 1.581.70
cyclohexaneCH2 1.431.431.401.401.45 1.401.441.441.441.371.47
Name acetone‑d6CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNC6D5ClTFE‑d3
BHAArC(CH3)3 1.411.441.341.411.41 1.361.401.42 1.371.44
BHTArC(CH3)3 1.411.431.361.381.40 1.361.401.421.391.371.43
propaneCH21.311.321.321.261.34 1.291.331.32 1.261.33
H greaseCH2 1.291.251.331.321.29 1.241.291.27 1.301.33
pump oilCH2 1.291.261.301.371.29 1.151.291.27 1.311.41
n-hexaneCH2 1.281.261.221.241.29 1.251.291.271.281.191.31
n-pentaneCH2 1.271.271.251.231.29 1.271.311.301.291.231.33
ethyl acetateCH2CH31.201.260.940.921.241.241.171.191.231.201.041.26
tert-butanolCH3 1.181.281.031.051.401.241.111.151.241.161.121.28
ethanolCH31.121.250.970.961.191.171.061.101.191.121.061.22
diethyl etherCH31.111.211.101.111.181.171.091.121.151.121.101.20
2-propanolCH31.101.220.950.951.501.171.041.081.171.091.041.20
ethyl methyl ketoneCH2CH30.961.060.840.851.011.260.910.961.000.960.891.05
triethylamineCH30.961.030.950.961.050.990.930.970.990.960.931.31
H greaseCH3 0.900.860.930.940.90 0.850.880.87 0.890.91
n-hexaneCH30.880.880.880.890.90 0.860.890.890.890.850.91
n-pentaneCH30.880.880.870.870.90 0.860.890.890.890.840.90
propaneCH30.880.900.890.860.91 0.870.900.90 0.840.90
pump oilCH3 0.870.860.920.940.89 0.740.880.87 0.900.99
ethaneCH3 0.830.870.810.800.85 0.820.850.85 0.790.85
grease (general)   0.920.88    0.86  
grease (general)   1.361.29    1.27  
methaneCH4 0.170.220.170.160.20 0.200.190.21 0.150.18
Name acetone‑d6CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNC6D5ClTFE‑d3
pyrrolidineCH2(2,5)  2.872.542.542.80 2.672.752.82 2.643.11
pyrrolidineCH2(3,4)  1.681.361.331.72 1.551.591.67 1.431.93
silicone greaseCH3 0.130.070.260.290.10 -0.060.110.090.080.140.16
hexamethyldisiloxaneCH3 0.070.070.100.120.07 0.060.070.07 0.100.08
Name acetone‑d6CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNC6D5ClTFE‑d3