Alistair Boyer

Alistair Boyer

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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 DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
residual solvent2.507.267.097.163.314.793.585.321.942.057.145.02
7.011.726.993.88
6.976.96
2.08
pyrroleNH 10.758.407.717.809.968.6910.028.61
benzaldehydeHCO 10.0210.039.579.6410.009.9810.019.779.88
pyridineCH(2,6) 8.588.628.478.538.538.528.548.598.578.588.518.45
chloroformCH 8.327.266.106.157.907.897.327.588.026.747.33
dimethylformamideCH 7.958.027.577.637.977.927.917.967.927.967.737.86
benzaldehydeCH(2,6) 7.927.907.467.517.927.877.887.937.607.91
pyridineCH(4) 7.797.686.996.987.857.877.657.687.737.767.257.82
benzaldehydeCH(4) 7.727.637.057.047.687.627.657.717.267.70
furanCH(2,5)7.677.457.107.137.497.487.467.567.247.44
benzaldehydeCH(3,5) 7.647.546.976.967.587.537.557.617.177.58
imidazoleCH(2) 7.637.677.307.337.677.487.637.627.537.61
pyridineCH(3,5) 7.397.296.676.667.447.457.257.287.337.356.907.40
benzeneCH 7.377.367.127.157.337.317.357.377.367.207.36
tolueneCH(3,5)7.257.257.097.137.167.197.247.207.157.147.20
tolueneCH(2,4,6)7.187.176.997.027.167.107.157.207.157.057.20
imidazoleCH(4,5) 7.017.106.866.907.056.947.077.047.017.03
BHTArH 6.876.986.997.056.926.926.976.976.966.977.06
pyrroleCH(2,5) 6.736.836.436.486.726.666.796.776.626.84
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
BHTOH6.655.014.724.795.815.005.205.50
BHAArH 6.626.766.836.936.716.686.736.726.836.87
BHAOH6.524.764.454.534.855.644.765.654.62
furanCH(3,4)6.476.406.076.086.406.376.416.436.196.42
pyrroleCH(3,4) 6.016.266.276.376.086.026.196.076.276.24
diallyl carbonateCHCH2 5.935.945.635.655.945.925.955.965.755.92
allyl acetateCHCH2 5.915.935.675.685.905.925.775.93
propyleneCH 5.805.835.705.725.825.795.845.815.725.87
dichloromethaneCH2 5.765.304.324.275.495.515.335.445.634.775.24
ethyleneCH2 5.415.405.255.255.395.365.405.385.295.40
diallyl carbonateCHCH2(1) 5.335.375.095.095.345.315.355.355.175.35
allyl acetateCHCH2(1) 5.295.325.055.065.275.315.155.32
diallyl carbonateCHCH2(2) 5.255.274.924.925.255.195.265.235.035.28
allyl acetateCHCH2(2) 5.205.244.944.945.155.225.045.25
propyleneCH2(2)5.035.034.985.015.014.995.035.004.985.03
propyleneCH2(1)4.944.944.924.954.914.894.934.904.914.93
ethanolOH4.631.320.830.503.301.332.473.391.39
hydrogenH4.614.624.504.474.564.554.594.544.494.53
diallyl carbonateCH2 4.614.644.344.384.614.584.614.624.464.62
allyl acetateCH2 4.524.574.344.384.564.504.554.444.58
nitromethaneCH3 4.424.333.012.944.344.404.314.314.314.433.594.28
tert-butanolOH4.190.581.553.162.181.302.20
ethyl acetateCH2CH34.034.123.873.894.094.144.044.084.064.053.964.14
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
methanolOH4.011.093.021.092.163.121.30
1,2-dichloroethaneCH2 3.903.732.912.903.783.773.763.813.873.263.71
2-propanolCH3.784.043.653.673.924.023.823.973.873.903.824.05
dimethyl carbonateCH3 3.693.793.313.303.743.693.753.723.483.77
BHAArOCH3 3.663.773.483.483.723.683.733.723.613.79
dimethyl malonateCH3 3.653.753.243.233.723.653.723.683.413.76
tetrahydrofuranCH2(2,5) 3.603.763.543.573.713.743.623.693.643.633.593.78
1,4-dioxaneCH2 3.573.713.333.353.663.753.563.653.603.593.453.76
dimethyl malonateCH2 3.533.402.922.973.443.353.373.423.153.41
diglymeCH2 3.513.653.433.463.613.673.433.573.533.563.493.67
18-crown-6CH2 3.513.673.363.393.643.573.593.593.413.64
ethanolCH23.443.723.363.343.603.653.513.663.543.573.513.71
1,2-dimethoxyethaneCH2 3.433.553.313.333.523.603.433.493.453.463.373.61
diglymeCH2 3.383.573.313.343.583.613.533.503.453.473.373.62
diethyl etherCH23.383.483.253.263.493.563.383.433.423.413.313.58
ethylene glycolCH23.343.763.363.413.593.653.483.663.513.283.583.72
H2OOH3.331.560.430.404.872.461.522.132.841.03
diglymeOCH3 3.243.393.123.113.353.373.283.333.293.283.163.41
1,2-dimethoxyethaneCH3 3.243.403.123.123.353.373.283.343.283.283.173.40
methanolCH33.163.493.033.073.343.343.273.423.283.313.253.44
dimethylacetamideNCH3 2.943.022.562.573.313.062.952.972.963.002.653.05
dimethylformamideCH3 2.892.962.372.362.993.012.882.912.892.942.512.98
dimethylacetamideNCH3 2.782.942.112.052.922.902.822.872.832.832.422.94
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
dimethylformamideCH3 2.732.881.961.862.862.852.762.822.772.782.302.88
pyrrolidineCH2(2,5) 2.672.872.542.542.802.752.822.643.11
dimethyl sulfoxideCH3 2.542.621.641.682.652.712.452.552.502.522.032.63
HMPACH32.532.652.422.402.642.612.582.602.572.592.472.63
triethylamineCH22.432.532.392.402.582.572.462.482.452.452.393.12
ethyl methyl ketoneCH2CH32.432.461.821.812.503.182.392.432.432.452.062.49
tolueneCH32.302.362.112.112.322.312.342.332.322.162.33
cyclohexanoneCH2(2,6) 2.252.331.951.982.342.242.292.272.082.38
BHTArCH3 2.182.272.232.242.212.212.252.222.222.202.24
hexamethylbenzeneCH3 2.142.242.102.132.192.182.202.172.102.24
acetoneCH3 2.092.171.571.552.152.222.052.122.081.77
ethyl methyl ketoneCH3CO 2.072.141.591.582.122.192.032.092.062.071.782.16
allyl acetateCH3 2.032.091.631.632.051.982.051.802.07
ethyl acetateCH3CO1.992.051.691.652.012.071.942.001.971.971.782.03
dimethylacetamideCH3CO 1.962.091.591.602.072.081.942.021.971.971.742.09
acetic acidCH31.912.101.571.551.992.081.892.061.961.961.76
cyclohexanoneCH2(3,5) 1.761.851.361.331.861.801.841.811.511.90
tetrahydrofuranCH2(3,4) 1.761.851.431.401.871.881.791.821.801.791.551.91
propyleneCH31.681.731.551.551.701.691.711.681.581.70
cyclohexanoneCH2(4) 1.651.721.181.121.751.701.711.721.351.77
pyrrolidineCH2(3,4) 1.551.681.361.331.721.591.671.431.93
cyclohexaneCH2 1.401.431.401.401.451.441.441.441.431.371.47
BHTArC(CH3)3 1.361.431.361.381.401.401.421.391.411.371.43
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
BHAArC(CH3)3 1.361.441.341.411.411.401.421.411.371.44
propaneCH21.291.321.321.261.341.331.321.311.261.33
n-pentaneCH2 1.271.271.251.231.291.311.301.291.271.231.33
n-hexaneCH2 1.251.261.221.241.291.291.271.281.281.191.31
H greaseCH2 1.241.251.331.321.291.291.271.291.301.33
ethyl acetateCH2CH31.171.260.940.921.241.241.191.231.201.201.041.26
pump oilCH2 1.151.261.301.371.291.291.271.291.311.41
tert-butanolCH3 1.111.281.031.051.401.241.151.241.161.181.121.28
diethyl etherCH31.091.211.101.111.181.171.121.151.121.111.101.20
ethanolCH31.061.250.970.961.191.171.101.191.121.121.061.22
2-propanolCH31.041.220.950.951.501.171.081.171.091.101.041.20
triethylamineCH30.931.030.950.961.050.990.970.990.960.960.931.31
ethyl methyl ketoneCH2CH30.911.060.840.851.011.260.961.000.960.960.891.05
propaneCH30.870.900.890.860.910.900.900.880.840.90
n-pentaneCH30.860.880.870.870.900.890.890.890.880.840.90
n-hexaneCH30.860.880.880.890.900.890.890.890.880.850.91
H greaseCH3 0.850.860.930.940.900.880.870.900.890.91
ethaneCH3 0.820.870.810.800.850.850.850.830.790.85
pump oilCH3 0.740.860.920.940.890.880.870.870.900.99
methaneCH4 0.200.220.170.160.200.190.210.170.150.18
hexamethyldisiloxaneCH3 0.060.070.100.120.070.070.070.070.100.08
silicone greaseCH3 -0.060.070.260.290.100.110.090.080.130.140.16
HODOH
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
tert-butyl methyl etherOCH33.043.203.223.13
tert-butyl methyl etherCCH31.071.151.211.14
acetonitrileCH3 2.100.691.552.032.061.951.971.96
grease (general)1.361.291.27
grease (general)0.920.880.86
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3

alistair@boyer-research.com

School of Chemistry
Joseph Black Building
University of Glasgow
Glasgow, G12 8QQ, UK


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