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 CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
residual solvent7.267.097.163.314.792.503.585.321.942.057.145.02
 7.01    1.72   6.993.88
 6.97        6.96 
 2.08          
HODOH            
H2OOH1.560.430.404.87 3.332.461.522.132.841.03 
acetic acidCH32.101.571.551.992.081.911.892.061.961.961.76 
acetoneCH3 2.171.571.552.152.222.092.052.122.08 1.77 
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) 7.907.467.517.92 7.927.877.88 7.937.607.91
benzaldehydeCH(4) 7.637.057.047.68 7.727.627.65 7.717.267.70
benzaldehydeCH(3,5) 7.546.976.967.58 7.647.537.55 7.617.177.58
benzeneCH 7.367.127.157.33 7.377.317.357.377.367.207.36
BHAArH 6.766.836.936.71 6.626.686.73 6.726.836.87
BHAOH4.764.454.534.85 6.525.644.76 5.654.62 
BHAArOCH3 3.773.483.483.72 3.663.683.73 3.723.613.79
BHAArC(CH3)3 1.441.341.411.41 1.361.401.42 1.411.371.44
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
BHTArH 6.986.997.056.92 6.876.926.976.976.966.977.06
BHTOH5.014.724.79  6.655.815.005.20 5.50 
BHTArCH3 2.272.232.242.21 2.182.212.252.222.222.202.24
BHTArC(CH3)3 1.431.361.381.40 1.361.401.421.391.411.371.43
tert-butanolCH3 1.281.031.051.401.241.111.151.241.161.181.121.28
tert-butanolOH 0.581.55  4.193.16 2.18 1.302.20
tert-butyl methyl etherCCH3  1.071.151.21   1.14   
tert-butyl methyl etherOCH3  3.043.203.22   3.13   
chloroformCH 7.266.106.157.90 8.327.897.327.588.026.747.33
18-crown-6CH2 3.673.363.393.64 3.513.573.59 3.593.413.64
cyclohexaneCH2 1.431.401.401.45 1.401.441.441.441.431.371.47
cyclohexanoneCH2(2,6) 2.331.951.982.34 2.252.242.29 2.272.082.38
cyclohexanoneCH2(3,5) 1.851.361.331.86 1.761.801.84 1.811.511.90
cyclohexanoneCH2(4) 1.721.181.121.75 1.651.701.71 1.721.351.77
diallyl carbonateCHCH2 5.945.635.655.94 5.935.925.95 5.965.755.92
diallyl carbonateCHCH2(1) 5.375.095.095.34 5.335.315.35 5.355.175.35
diallyl carbonateCHCH2(2) 5.274.924.925.25 5.255.195.26 5.235.035.28
diallyl carbonateCH2 4.644.344.384.61 4.614.584.61 4.624.464.62
1,2-dichloroethaneCH2 3.732.912.903.78 3.903.773.763.813.873.263.71
dichloromethaneCH2 5.304.324.275.49 5.765.515.335.445.634.775.24
diethyl etherCH23.483.253.263.493.563.383.383.433.423.413.313.58
diethyl etherCH31.211.101.111.181.171.091.121.151.121.111.101.20
diglymeCH2 3.653.433.463.613.673.513.433.573.533.563.493.67
diglymeCH2 3.573.313.343.583.613.383.533.503.453.473.373.62
diglymeOCH3 3.393.123.113.353.373.243.283.333.293.283.163.41
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
1,2-dimethoxyethaneCH2 3.553.313.333.523.603.433.433.493.453.463.373.61
1,2-dimethoxyethaneCH3 3.403.123.123.353.373.243.283.343.283.283.173.40
dimethyl carbonateCH3 3.793.313.303.74 3.693.693.75 3.723.483.77
dimethyl malonateCH3 3.753.243.233.72 3.653.653.72 3.683.413.76
dimethyl malonateCH2 3.402.922.973.44 3.533.353.37 3.423.153.41
dimethyl sulfoxideCH3 2.621.641.682.652.712.542.452.552.502.522.032.63
dimethylacetamideNCH3 3.022.562.573.313.062.942.952.972.963.002.653.05
dimethylacetamideNCH3 2.942.112.052.922.902.782.822.872.832.832.422.94
dimethylacetamideCH3CO 2.091.591.602.072.081.961.942.021.971.971.742.09
dimethylformamideCH 8.027.577.637.977.927.957.917.967.927.967.737.86
dimethylformamideCH3 2.962.372.362.993.012.892.882.912.892.942.512.98
dimethylformamideCH3 2.881.961.862.862.852.732.762.822.772.782.302.88
1,4-dioxaneCH2 3.713.333.353.663.753.573.563.653.603.593.453.76
ethaneCH3 0.870.810.800.85 0.820.850.85 0.830.790.85
ethanolCH23.723.363.343.603.653.443.513.663.543.573.513.71
ethanolOH1.320.830.50  4.633.301.332.473.391.39 
ethanolCH31.250.970.961.191.171.061.101.191.121.121.061.22
ethyl acetateCH2CH34.123.873.894.094.144.034.044.084.064.053.964.14
ethyl acetateCH3CO2.051.691.652.012.071.991.942.001.971.971.782.03
ethyl acetateCH2CH31.260.940.921.241.241.171.191.231.201.201.041.26
ethyl methyl ketoneCH2CH32.461.821.812.503.182.432.392.432.432.452.062.49
ethyl methyl ketoneCH3CO 2.141.591.582.122.192.072.032.092.062.071.782.16
ethyl methyl ketoneCH2CH31.060.840.851.011.260.910.961.000.960.960.891.05
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
ethyleneCH2 5.405.255.255.39 5.415.365.40 5.385.295.40
ethylene glycolCH23.763.363.413.593.653.343.483.663.513.283.583.72
furanCH(2,5)7.457.107.137.49 7.677.487.46 7.567.247.44
furanCH(3,4)6.406.076.086.40 6.476.376.41 6.436.196.42
grease (general)  1.361.29    1.27   
grease (general)  0.920.88    0.86   
H greaseCH2 1.251.331.321.29 1.241.291.27 1.291.301.33
H greaseCH3 0.860.930.940.90 0.850.880.87 0.900.890.91
hexamethylbenzeneCH3 2.242.102.132.19 2.142.182.20 2.172.102.24
hexamethyldisiloxaneCH3 0.070.100.120.07 0.060.070.07 0.070.100.08
HMPACH32.652.422.402.642.612.532.582.602.572.592.472.63
n-hexaneCH2 1.261.221.241.29 1.251.291.271.281.281.191.31
n-hexaneCH30.880.880.890.90 0.860.890.890.890.880.850.91
hydrogenH4.624.504.474.56 4.614.554.59 4.544.494.53
imidazoleCH(2) 7.677.307.337.67 7.637.487.63 7.627.537.61
imidazoleCH(4,5) 7.106.866.907.05 7.016.947.07 7.047.017.03
methaneCH4 0.220.170.160.20 0.200.190.21 0.170.150.18
methanolCH33.493.033.073.343.343.163.273.423.283.313.253.44
methanolOH1.09    4.013.021.092.163.121.30 
nitromethaneCH3 4.333.012.944.344.404.424.314.314.314.433.594.28
n-pentaneCH2 1.271.251.231.29 1.271.311.301.291.271.231.33
n-pentaneCH30.880.870.870.90 0.860.890.890.890.880.840.90
propaneCH21.321.321.261.34 1.291.331.32 1.311.261.33
propaneCH30.900.890.860.91 0.870.900.90 0.880.840.90
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
2-propanolCH4.043.653.673.924.023.783.823.973.873.903.824.05
2-propanolCH31.220.950.951.501.171.041.081.171.091.101.041.20
propyleneCH 5.835.705.725.82 5.805.795.84 5.815.725.87
propyleneCH2(2)5.034.985.015.01 5.034.995.03 5.004.985.03
propyleneCH2(1)4.944.924.954.91 4.944.894.93 4.904.914.93
propyleneCH31.731.551.551.70 1.681.691.71 1.681.581.70
pump oilCH2 1.261.301.371.29 1.151.291.27 1.291.311.41
pump oilCH3 0.860.920.940.89 0.740.880.87 0.870.900.99
pyridineCH(2,6) 8.628.478.538.538.528.588.548.598.578.588.518.45
pyridineCH(4) 7.686.996.987.857.877.797.657.687.737.767.257.82
pyridineCH(3,5) 7.296.676.667.447.457.397.257.287.337.356.907.40
pyrroleNH 8.407.717.80  10.759.968.69 10.028.61 
pyrroleCH(2,5) 6.836.436.486.72 6.736.666.79 6.776.626.84
pyrroleCH(3,4) 6.266.276.376.08 6.016.026.19 6.076.276.24
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 0.070.260.290.10 -0.060.110.090.080.130.140.16
tetrahydrofuranCH2(2,5) 3.763.543.573.713.743.603.623.693.643.633.593.78
tetrahydrofuranCH2(3,4) 1.851.431.401.871.881.761.791.821.801.791.551.91
tolueneCH(3,5)7.257.097.137.16 7.257.197.247.207.157.147.20
tolueneCH(2,4,6)7.176.997.027.16 7.187.107.157.207.157.057.20
tolueneCH32.362.112.112.32 2.302.312.342.332.322.162.33
triethylamineCH22.532.392.402.582.572.432.462.482.452.452.393.12
triethylamineCH31.030.950.961.050.990.930.970.990.960.960.931.31
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3

alistair@boyer-research.com

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


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