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1H NMR Shift Data for Common Impurities

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Name TFE‑d3CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5Cl
residual solvent5.027.267.097.163.314.792.503.585.321.942.057.14
3.88 7.01    1.72   6.99
  6.97        6.96
  2.08         
H2OOH 1.560.430.404.87 3.332.461.522.132.841.03
HODOH            
acetic acidCH3 2.101.571.551.992.081.911.892.061.961.961.76
acetoneCH3  2.171.571.552.152.222.092.052.122.08 1.77
acetonitrileCH3  2.100.691.552.032.06 1.951.971.96  
benzaldehydeHCO 9.8810.039.579.6410.00 10.029.9810.01  9.77
benzaldehydeCH(2,6) 7.917.907.467.517.92 7.927.877.88 7.937.60
benzaldehydeCH(4) 7.707.637.057.047.68 7.727.627.65 7.717.26
tert-butyl methyl etherCCH3   1.071.151.21   1.14  
tert-butyl methyl etherOCH3   3.043.203.22   3.13  
BHAOH 4.764.454.534.85 6.525.644.76 5.654.62
BHTOH 5.014.724.79  6.655.815.005.20 5.50
dimethylformamideCH 7.868.027.577.637.977.927.957.917.967.927.967.73
ethanolOH 1.320.830.50  4.633.301.332.473.391.39
grease (general)   0.920.88    0.86  
grease (general)   1.361.29    1.27  
imidazoleCH(2) 7.617.677.307.337.67 7.637.487.63 7.627.53
benzaldehydeCH(3,5) 7.587.546.976.967.58 7.647.537.55 7.617.17
Name TFE‑d3CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5Cl
furanCH(2,5)7.447.457.107.137.49 7.677.487.46 7.567.24
benzeneCH 7.367.367.127.157.33 7.377.317.357.377.367.20
chloroformCH 7.337.266.106.157.90 8.327.897.327.588.026.74
BHTArH 7.066.986.997.056.92 6.876.926.976.976.966.97
imidazoleCH(4,5) 7.037.106.866.907.05 7.016.947.07 7.047.01
BHAArH 6.876.766.836.936.71 6.626.686.73 6.726.83
furanCH(3,4)6.426.406.076.086.40 6.476.376.41 6.436.19
allyl acetateCHCH2 5.935.935.675.68  5.915.905.92  5.77
diallyl carbonateCHCH2 5.925.945.635.655.94 5.935.925.95 5.965.75
methanolOH 1.09    4.013.021.092.163.121.30
pyridineCH(2,6) 8.458.628.478.538.538.528.588.548.598.578.588.51
pyridineCH(4) 7.827.686.996.987.857.877.797.657.687.737.767.25
pyridineCH(3,5) 7.407.296.676.667.447.457.397.257.287.337.356.90
tolueneCH(2,4,6)7.207.176.997.027.16 7.187.107.157.207.157.05
tolueneCH(3,5)7.207.257.097.137.16 7.257.197.247.207.157.14
pyrroleCH(2,5) 6.846.836.436.486.72 6.736.666.79 6.776.62
pyrroleCH(3,4) 6.246.266.276.376.08 6.016.026.19 6.076.27
propyleneCH 5.875.835.705.725.82 5.805.795.84 5.815.72
ethyleneCH2 5.405.405.255.255.39 5.415.365.40 5.385.29
diallyl carbonateCHCH2(1) 5.355.375.095.095.34 5.335.315.35 5.355.17
allyl acetateCHCH2(1) 5.325.325.055.06  5.295.275.31  5.15
diallyl carbonateCHCH2(2) 5.285.274.924.925.25 5.255.195.26 5.235.03
allyl acetateCHCH2(2) 5.255.244.944.94  5.205.155.22  5.04
Name TFE‑d3CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5Cl
dichloromethaneCH2 5.245.304.324.275.49 5.765.515.335.445.634.77
propyleneCH2(2)5.035.034.985.015.01 5.034.995.03 5.004.98
propyleneCH2(1)4.934.944.924.954.91 4.944.894.93 4.904.91
diallyl carbonateCH2 4.624.644.344.384.61 4.614.584.61 4.624.46
allyl acetateCH2 4.584.574.344.384.56 4.524.504.55  4.44
hydrogenH4.534.624.504.474.56 4.614.554.59 4.544.49
nitromethaneCH3 4.284.333.012.944.344.404.424.314.314.314.433.59
ethyl acetateCH2CH34.144.123.873.894.094.144.034.044.084.064.053.96
2-propanolCH4.054.043.653.673.924.023.783.823.973.873.903.82
BHAArOCH3 3.793.773.483.483.72 3.663.683.73 3.723.61
tetrahydrofuranCH2(2,5) 3.783.763.543.573.713.743.603.623.693.643.633.59
dimethyl carbonateCH3 3.773.793.313.303.74 3.693.693.75 3.723.48
dimethyl malonateCH3 3.763.753.243.233.72 3.653.653.72 3.683.41
1,4-dioxaneCH2 3.763.713.333.353.663.753.573.563.653.603.593.45
ethylene glycolCH23.723.763.363.413.593.653.343.483.663.513.283.58
1,2-dichloroethaneCH2 3.713.732.912.903.78 3.903.773.763.813.873.26
ethanolCH23.713.723.363.343.603.653.443.513.663.543.573.51
diglymeCH2 3.673.653.433.463.613.673.513.433.573.533.563.49
18-crown-6CH2 3.643.673.363.393.64 3.513.573.59 3.593.41
diglymeCH2 3.623.573.313.343.583.613.383.533.503.453.473.37
1,2-dimethoxyethaneCH2 3.613.553.313.333.523.603.433.433.493.453.463.37
diethyl etherCH23.583.483.253.263.493.563.383.383.433.423.413.31
methanolCH33.443.493.033.073.343.343.163.273.423.283.313.25
Name TFE‑d3CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5Cl
diglymeOCH3 3.413.393.123.113.353.373.243.283.333.293.283.16
dimethyl malonateCH2 3.413.402.922.973.44 3.533.353.37 3.423.15
1,2-dimethoxyethaneCH3 3.403.403.123.123.353.373.243.283.343.283.283.17
pyrroleNH  8.407.717.80  10.759.968.69 10.028.61
triethylamineCH23.122.532.392.402.582.572.432.462.482.452.452.39
pyrrolidineCH2(2,5) 3.112.872.542.542.80 2.672.752.82  2.64
dimethylacetamideNCH3 3.053.022.562.573.313.062.942.952.972.963.002.65
dimethylformamideCH3 2.982.962.372.362.993.012.892.882.912.892.942.51
dimethylacetamideNCH3 2.942.942.112.052.922.902.782.822.872.832.832.42
dimethylformamideCH3 2.882.881.961.862.862.852.732.762.822.772.782.30
dimethyl sulfoxideCH3 2.632.621.641.682.652.712.542.452.552.502.522.03
HMPACH32.632.652.422.402.642.612.532.582.602.572.592.47
ethyl methyl ketoneCH2CH32.492.461.821.812.503.182.432.392.432.432.452.06
cyclohexanoneCH2(2,6) 2.382.331.951.982.34 2.252.242.29 2.272.08
tolueneCH32.332.362.112.112.32 2.302.312.342.332.322.16
BHTArCH3 2.242.272.232.242.21 2.182.212.252.222.222.20
hexamethylbenzeneCH3 2.242.242.102.132.19 2.142.182.20 2.172.10
tert-butanolOH2.20 0.581.55  4.193.16 2.18 1.30
ethyl methyl ketoneCH3CO 2.162.141.591.582.122.192.072.032.092.062.071.78
dimethylacetamideCH3CO 2.092.091.591.602.072.081.961.942.021.971.971.74
allyl acetateCH3 2.072.091.631.632.05 2.031.982.05  1.80
ethyl acetateCH3CO2.032.051.691.652.012.071.991.942.001.971.971.78
pyrrolidineCH2(3,4) 1.931.681.361.331.72 1.551.591.67  1.43
Name TFE‑d3CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5Cl
tetrahydrofuranCH2(3,4) 1.911.851.431.401.871.881.761.791.821.801.791.55
cyclohexanoneCH2(3,5) 1.901.851.361.331.86 1.761.801.84 1.811.51
cyclohexanoneCH2(4) 1.771.721.181.121.75 1.651.701.71 1.721.35
propyleneCH31.701.731.551.551.70 1.681.691.71 1.681.58
cyclohexaneCH2 1.471.431.401.401.45 1.401.441.441.441.431.37
BHAArC(CH3)3 1.441.441.341.411.41 1.361.401.42 1.411.37
BHTArC(CH3)3 1.431.431.361.381.40 1.361.401.421.391.411.37
pump oilCH2 1.411.261.301.371.29 1.151.291.27 1.291.31
H greaseCH2 1.331.251.331.321.29 1.241.291.27 1.291.30
n-pentaneCH2 1.331.271.251.231.29 1.271.311.301.291.271.23
propaneCH21.331.321.321.261.34 1.291.331.32 1.311.26
n-hexaneCH2 1.311.261.221.241.29 1.251.291.271.281.281.19
triethylamineCH31.311.030.950.961.050.990.930.970.990.960.960.93
tert-butanolCH3 1.281.281.031.051.401.241.111.151.241.161.181.12
ethyl acetateCH2CH31.261.260.940.921.241.241.171.191.231.201.201.04
ethanolCH31.221.250.970.961.191.171.061.101.191.121.121.06
diethyl etherCH31.201.211.101.111.181.171.091.121.151.121.111.10
2-propanolCH31.201.220.950.951.501.171.041.081.171.091.101.04
ethyl methyl ketoneCH2CH31.051.060.840.851.011.260.910.961.000.960.960.89
pump oilCH3 0.990.860.920.940.89 0.740.880.87 0.870.90
H greaseCH3 0.910.860.930.940.90 0.850.880.87 0.900.89
n-hexaneCH30.910.880.880.890.90 0.860.890.890.890.880.85
n-pentaneCH30.900.880.870.870.90 0.860.890.890.890.880.84
Name TFE‑d3CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5Cl
propaneCH30.900.900.890.860.91 0.870.900.90 0.880.84
ethaneCH3 0.850.870.810.800.85 0.820.850.85 0.830.79
methaneCH4 0.180.220.170.160.20 0.200.190.21 0.170.15
silicone greaseCH3 0.160.070.260.290.10 -0.060.110.090.080.130.14
hexamethyldisiloxaneCH3 0.080.070.100.120.07 0.060.070.07 0.070.10
Name TFE‑d3CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5Cl