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1H NMR Shift Data for Common Impurities

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Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
residual solvent3.317.267.097.164.792.503.585.321.942.057.145.02
  7.01   1.72   6.993.88
  6.97       6.96 
  2.08         
HODOH            
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
benzaldehydeHCO 10.0010.039.579.64 10.029.9810.01  9.779.88
pyridineCH(2,6) 8.538.628.478.538.528.588.548.598.578.588.518.45
dimethylformamideCH 7.978.027.577.637.927.957.917.967.927.967.737.86
benzaldehydeCH(2,6) 7.927.907.467.51 7.927.877.88 7.937.607.91
chloroformCH 7.907.266.106.15 8.327.897.327.588.026.747.33
pyridineCH(4) 7.857.686.996.987.877.797.657.687.737.767.257.82
benzaldehydeCH(4) 7.687.637.057.04 7.727.627.65 7.717.267.70
imidazoleCH(2) 7.677.677.307.33 7.637.487.63 7.627.537.61
benzaldehydeCH(3,5) 7.587.546.976.96 7.647.537.55 7.617.177.58
furanCH(2,5)7.497.457.107.13 7.677.487.46 7.567.247.44
pyridineCH(3,5) 7.447.296.676.667.457.397.257.287.337.356.907.40
benzeneCH 7.337.367.127.15 7.377.317.357.377.367.207.36
tert-butanolOH  0.581.55 4.193.16 2.18 1.302.20
BHTOH 5.014.724.79 6.655.815.005.20 5.50 
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
tolueneCH(2,4,6)7.167.176.997.02 7.187.107.157.207.157.057.20
tolueneCH(3,5)7.167.257.097.13 7.257.197.247.207.157.147.20
imidazoleCH(4,5) 7.057.106.866.90 7.016.947.07 7.047.017.03
BHTArH 6.926.986.997.05 6.876.926.976.976.966.977.06
pyrroleCH(2,5) 6.726.836.436.48 6.736.666.79 6.776.626.84
BHAArH 6.716.766.836.93 6.626.686.73 6.726.836.87
furanCH(3,4)6.406.406.076.08 6.476.376.41 6.436.196.42
pyrroleCH(3,4) 6.086.266.276.37 6.016.026.19 6.076.276.24
diallyl carbonateCHCH2 5.945.945.635.65 5.935.925.95 5.965.755.92
propyleneCH 5.825.835.705.72 5.805.795.84 5.815.725.87
dichloromethaneCH2 5.495.304.324.27 5.765.515.335.445.634.775.24
ethyleneCH2 5.395.405.255.25 5.415.365.40 5.385.295.40
diallyl carbonateCHCH2(1) 5.345.375.095.09 5.335.315.35 5.355.175.35
diallyl carbonateCHCH2(2) 5.255.274.924.92 5.255.195.26 5.235.035.28
propyleneCH2(2)5.015.034.985.01 5.034.995.03 5.004.985.03
propyleneCH2(1)4.914.944.924.95 4.944.894.93 4.904.914.93
H2OOH4.871.560.430.40 3.332.461.522.132.841.03 
BHAOH4.854.764.454.53 6.525.644.76 5.654.62 
diallyl carbonateCH2 4.614.644.344.38 4.614.584.61 4.624.464.62
allyl acetateCH2 4.564.574.344.38 4.524.504.55  4.444.58
hydrogenH4.564.624.504.47 4.614.554.59 4.544.494.53
nitromethaneCH3 4.344.333.012.944.404.424.314.314.314.433.594.28
ethyl acetateCH2CH34.094.123.873.894.144.034.044.084.064.053.964.14
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
2-propanolCH3.924.043.653.674.023.783.823.973.873.903.824.05
1,2-dichloroethaneCH2 3.783.732.912.90 3.903.773.763.813.873.263.71
dimethyl carbonateCH3 3.743.793.313.30 3.693.693.75 3.723.483.77
BHAArOCH3 3.723.773.483.48 3.663.683.73 3.723.613.79
dimethyl malonateCH3 3.723.753.243.23 3.653.653.72 3.683.413.76
tetrahydrofuranCH2(2,5) 3.713.763.543.573.743.603.623.693.643.633.593.78
1,4-dioxaneCH2 3.663.713.333.353.753.573.563.653.603.593.453.76
18-crown-6CH2 3.643.673.363.39 3.513.573.59 3.593.413.64
diglymeCH2 3.613.653.433.463.673.513.433.573.533.563.493.67
ethanolCH23.603.723.363.343.653.443.513.663.543.573.513.71
ethylene glycolCH23.593.763.363.413.653.343.483.663.513.283.583.72
diglymeCH2 3.583.573.313.343.613.383.533.503.453.473.373.62
1,2-dimethoxyethaneCH2 3.523.553.313.333.603.433.433.493.453.463.373.61
diethyl etherCH23.493.483.253.263.563.383.383.433.423.413.313.58
dimethyl malonateCH2 3.443.402.922.97 3.533.353.37 3.423.153.41
diglymeOCH3 3.353.393.123.113.373.243.283.333.293.283.163.41
1,2-dimethoxyethaneCH3 3.353.403.123.123.373.243.283.343.283.283.173.40
methanolCH33.343.493.033.073.343.163.273.423.283.313.253.44
dimethylacetamideNCH3 3.313.022.562.573.062.942.952.972.963.002.653.05
tert-butyl methyl etherOCH33.20  3.043.22   3.13   
dimethylformamideCH3 2.992.962.372.363.012.892.882.912.892.942.512.98
dimethylacetamideNCH3 2.922.942.112.052.902.782.822.872.832.832.422.94
dimethylformamideCH3 2.862.881.961.862.852.732.762.822.772.782.302.88
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
pyrrolidineCH2(2,5) 2.802.872.542.54 2.672.752.82  2.643.11
dimethyl sulfoxideCH3 2.652.621.641.682.712.542.452.552.502.522.032.63
ethanolOH 1.320.830.50 4.633.301.332.473.391.39 
HMPACH32.642.652.422.402.612.532.582.602.572.592.472.63
methanolOH 1.09   4.013.021.092.163.121.30 
triethylamineCH22.582.532.392.402.572.432.462.482.452.452.393.12
ethyl methyl ketoneCH2CH32.502.461.821.813.182.432.392.432.432.452.062.49
cyclohexanoneCH2(2,6) 2.342.331.951.98 2.252.242.29 2.272.082.38
tolueneCH32.322.362.112.11 2.302.312.342.332.322.162.33
BHTArCH3 2.212.272.232.24 2.182.212.252.222.222.202.24
hexamethylbenzeneCH3 2.192.242.102.13 2.142.182.20 2.172.102.24
acetoneCH3 2.152.171.571.552.222.092.052.122.08 1.77 
ethyl methyl ketoneCH3CO 2.122.141.591.582.192.072.032.092.062.071.782.16
dimethylacetamideCH3CO 2.072.091.591.602.081.961.942.021.971.971.742.09
allyl acetateCH3 2.052.091.631.63 2.031.982.05  1.802.07
acetonitrileCH3 2.032.100.691.552.06 1.951.971.96   
ethyl acetateCH3CO2.012.051.691.652.071.991.942.001.971.971.782.03
acetic acidCH31.992.101.571.552.081.911.892.061.961.961.76 
tetrahydrofuranCH2(3,4) 1.871.851.431.401.881.761.791.821.801.791.551.91
cyclohexanoneCH2(3,5) 1.861.851.361.33 1.761.801.84 1.811.511.90
cyclohexanoneCH2(4) 1.751.721.181.12 1.651.701.71 1.721.351.77
pyrrolidineCH2(3,4) 1.721.681.361.33 1.551.591.67  1.431.93
propyleneCH31.701.731.551.55 1.681.691.71 1.681.581.70
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
2-propanolCH31.501.220.950.951.171.041.081.171.091.101.041.20
cyclohexaneCH2 1.451.431.401.40 1.401.441.441.441.431.371.47
BHAArC(CH3)3 1.411.441.341.41 1.361.401.42 1.411.371.44
tert-butanolCH3 1.401.281.031.051.241.111.151.241.161.181.121.28
BHTArC(CH3)3 1.401.431.361.38 1.361.401.421.391.411.371.43
propaneCH21.341.321.321.26 1.291.331.32 1.311.261.33
H greaseCH2 1.291.251.331.32 1.241.291.27 1.291.301.33
grease (general)1.29  1.36    1.27   
n-hexaneCH2 1.291.261.221.24 1.251.291.271.281.281.191.31
n-pentaneCH2 1.291.271.251.23 1.271.311.301.291.271.231.33
pump oilCH2 1.291.261.301.37 1.151.291.27 1.291.311.41
ethyl acetateCH2CH31.241.260.940.921.241.171.191.231.201.201.041.26
ethanolCH31.191.250.970.961.171.061.101.191.121.121.061.22
diethyl etherCH31.181.211.101.111.171.091.121.151.121.111.101.20
tert-butyl methyl etherCCH31.15  1.071.21   1.14   
triethylamineCH31.051.030.950.960.990.930.970.990.960.960.931.31
ethyl methyl ketoneCH2CH31.011.060.840.851.260.910.961.000.960.960.891.05
propaneCH30.910.900.890.86 0.870.900.90 0.880.840.90
n-hexaneCH30.900.880.880.89 0.860.890.890.890.880.850.91
n-pentaneCH30.900.880.870.87 0.860.890.890.890.880.840.90
H greaseCH3 0.900.860.930.94 0.850.880.87 0.900.890.91
pump oilCH3 0.890.860.920.94 0.740.880.87 0.870.900.99
grease (general)0.88  0.92    0.86   
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
ethaneCH3 0.850.870.810.80 0.820.850.85 0.830.790.85
methaneCH4 0.200.220.170.16 0.200.190.21 0.170.150.18
hexamethyldisiloxaneCH3 0.070.070.100.12 0.060.070.07 0.070.100.08
pyrroleNH  8.407.717.80 10.759.968.69 10.028.61 
silicone greaseCH3 0.100.070.260.29 -0.060.110.090.080.130.140.16
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3