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1H NMR Shift Data for Common Impurities

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Name CD3CNCDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2acetone‑d6C6D5ClTFE‑d3
residual solvent1.947.267.097.163.314.792.503.585.322.057.145.02
  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
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 7.927.877.887.937.607.91
benzaldehydeCH(3,5)  7.546.976.967.58 7.647.537.557.617.177.58
benzaldehydeCH(4)  7.637.057.047.68 7.727.627.657.717.267.70
benzeneCH 7.377.367.127.157.33 7.377.317.357.367.207.36
BHAArH  6.766.836.936.71 6.626.686.736.726.836.87
BHAOH 4.764.454.534.85 6.525.644.765.654.62 
BHAArOCH3  3.773.483.483.72 3.663.683.733.723.613.79
BHAArC(CH3)3  1.441.341.411.41 1.361.401.421.411.371.44
18-crown-6CH2  3.673.363.393.64 3.513.573.593.593.413.64
cyclohexanoneCH2(2,6)  2.331.951.982.34 2.252.242.292.272.082.38
cyclohexanoneCH2(3,5)  1.851.361.331.86 1.761.801.841.811.511.90
cyclohexanoneCH2(4)  1.721.181.121.75 1.651.701.711.721.351.77
Name CD3CNCDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2acetone‑d6C6D5ClTFE‑d3
diallyl carbonateCHCH2  5.945.635.655.94 5.935.925.955.965.755.92
diallyl carbonateCHCH2(1)  5.375.095.095.34 5.335.315.355.355.175.35
diallyl carbonateCHCH2(2)  5.274.924.925.25 5.255.195.265.235.035.28
diallyl carbonateCH2  4.644.344.384.61 4.614.584.614.624.464.62
dimethyl carbonateCH3  3.793.313.303.74 3.693.693.753.723.483.77
dimethyl malonateCH3  3.753.243.233.72 3.653.653.723.683.413.76
dimethyl malonateCH2  3.402.922.973.44 3.533.353.373.423.153.41
pyridineCH(2,6) 8.578.628.478.538.538.528.588.548.598.588.518.45
dimethylformamideCH 7.928.027.577.637.977.927.957.917.967.967.737.86
pyridineCH(4) 7.737.686.996.987.857.877.797.657.687.767.257.82
chloroformCH 7.587.266.106.157.90 8.327.897.328.026.747.33
pyridineCH(3,5) 7.337.296.676.667.447.457.397.257.287.356.907.40
tolueneCH(2,4,6)7.207.176.997.027.16 7.187.107.157.157.057.20
tolueneCH(3,5)7.207.257.097.137.16 7.257.197.247.157.147.20
BHTArH 6.976.986.997.056.92 6.876.926.976.966.977.06
dichloromethaneCH2 5.445.304.324.275.49 5.765.515.335.634.775.24
BHTOH5.205.014.724.79  6.655.815.00 5.50 
nitromethaneCH3 4.314.333.012.944.344.404.424.314.314.433.594.28
ethyl acetateCH2CH34.064.123.873.894.094.144.034.044.084.053.964.14
2-propanolCH3.874.043.653.673.924.023.783.823.973.903.824.05
1,2-dichloroethaneCH2 3.813.732.912.903.78 3.903.773.763.873.263.71
tetrahydrofuranCH2(2,5) 3.643.763.543.573.713.743.603.623.693.633.593.78
1,4-dioxaneCH2 3.603.713.333.353.663.753.573.563.653.593.453.76
Name CD3CNCDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2acetone‑d6C6D5ClTFE‑d3
ethanolCH23.543.723.363.343.603.653.443.513.663.573.513.71
diglymeCH2 3.533.653.433.463.613.673.513.433.573.563.493.67
ethylene glycolCH23.513.763.363.413.593.653.343.483.663.283.583.72
diglymeCH2 3.453.573.313.343.583.613.383.533.503.473.373.62
1,2-dimethoxyethaneCH2 3.453.553.313.333.523.603.433.433.493.463.373.61
diethyl etherCH23.423.483.253.263.493.563.383.383.433.413.313.58
diglymeOCH3 3.293.393.123.113.353.373.243.283.333.283.163.41
1,2-dimethoxyethaneCH3 3.283.403.123.123.353.373.243.283.343.283.173.40
methanolCH33.283.493.033.073.343.343.163.273.423.313.253.44
tert-butyl methyl etherOCH33.13  3.043.203.22      
dimethylacetamideNCH3 2.963.022.562.573.313.062.942.952.973.002.653.05
dimethylformamideCH3 2.892.962.372.362.993.012.892.882.912.942.512.98
dimethylacetamideNCH3 2.832.942.112.052.922.902.782.822.872.832.422.94
dimethylformamideCH3 2.772.881.961.862.862.852.732.762.822.782.302.88
HMPACH32.572.652.422.402.642.612.532.582.602.592.472.63
dimethyl sulfoxideCH3 2.502.621.641.682.652.712.542.452.552.522.032.63
ethanolOH2.471.320.830.50  4.633.301.333.391.39 
triethylamineCH22.452.532.392.402.582.572.432.462.482.452.393.12
ethyl methyl ketoneCH2CH32.432.461.821.812.503.182.432.392.432.452.062.49
tolueneCH32.332.362.112.112.32 2.302.312.342.322.162.33
BHTArCH3 2.222.272.232.242.21 2.182.212.252.222.202.24
tert-butanolOH2.18 0.581.55  4.193.16  1.302.20
methanolOH2.161.09    4.013.021.093.121.30 
Name CD3CNCDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2acetone‑d6C6D5ClTFE‑d3
H2OOH2.131.560.430.404.87 3.332.461.522.841.03 
acetoneCH3 2.082.171.571.552.152.222.092.052.12 1.77 
ethyl methyl ketoneCH3CO 2.062.141.591.582.122.192.072.032.092.071.782.16
dimethylacetamideCH3CO 1.972.091.591.602.072.081.961.942.021.971.742.09
acetic acidCH31.962.101.571.551.992.081.911.892.061.961.76 
acetonitrileCH3 1.962.100.691.552.032.06 1.951.97   
cyclohexaneCH2 1.441.431.401.401.45 1.401.441.441.431.371.47
ethaneCH3  0.870.810.800.85 0.820.850.850.830.790.85
ethyl acetateCH3CO1.972.051.691.652.012.071.991.942.001.971.782.03
tetrahydrofuranCH2(3,4) 1.801.851.431.401.871.881.761.791.821.791.551.91
BHTArC(CH3)3 1.391.431.361.381.40 1.361.401.421.411.371.43
n-pentaneCH2 1.291.271.251.231.29 1.271.311.301.271.231.33
n-hexaneCH2 1.281.261.221.241.29 1.251.291.271.281.191.31
grease (general)1.27  1.361.29       
ethyl acetateCH2CH31.201.260.940.921.241.241.171.191.231.201.041.26
tert-butanolCH3 1.161.281.031.051.401.241.111.151.241.181.121.28
tert-butyl methyl etherCCH31.14  1.071.151.21      
diethyl etherCH31.121.211.101.111.181.171.091.121.151.111.101.20
ethanolCH31.121.250.970.961.191.171.061.101.191.121.061.22
ethyl methyl ketoneCH2CH30.961.060.840.851.011.260.910.961.000.960.891.05
ethyleneCH2  5.405.255.255.39 5.415.365.405.385.295.40
furanCH(2,5) 7.457.107.137.49 7.677.487.467.567.247.44
furanCH(3,4) 6.406.076.086.40 6.476.376.416.436.196.42
Name CD3CNCDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2acetone‑d6C6D5ClTFE‑d3
H greaseCH3  0.860.930.940.90 0.850.880.870.900.890.91
H greaseCH2  1.251.331.321.29 1.241.291.271.291.301.33
grease (general)0.86  0.920.88       
hexamethylbenzeneCH3  2.242.102.132.19 2.142.182.202.172.102.24
hexamethyldisiloxaneCH3  0.070.100.120.07 0.060.070.070.070.100.08
n-hexaneCH30.890.880.880.890.90 0.860.890.890.880.850.91
hydrogenH 4.624.504.474.56 4.614.554.594.544.494.53
imidazoleCH(2)  7.677.307.337.67 7.637.487.637.627.537.61
imidazoleCH(4,5)  7.106.866.907.05 7.016.947.077.047.017.03
methaneCH4  0.220.170.160.20 0.200.190.210.170.150.18
n-pentaneCH30.890.880.870.870.90 0.860.890.890.880.840.90
propaneCH3 0.900.890.860.91 0.870.900.900.880.840.90
propaneCH2 1.321.321.261.34 1.291.331.321.311.261.33
2-propanolCH31.091.220.950.951.501.171.041.081.171.101.041.20
propyleneCH3 1.731.551.551.70 1.681.691.711.681.581.70
propyleneCH2(1) 4.944.924.954.91 4.944.894.934.904.914.93
propyleneCH2(2) 5.034.985.015.01 5.034.995.035.004.985.03
propyleneCH  5.835.705.725.82 5.805.795.845.815.725.87
pump oilCH3  0.860.920.940.89 0.740.880.870.870.900.99
pump oilCH2  1.261.301.371.29 1.151.291.271.291.311.41
pyrroleNH  8.407.717.80  10.759.968.6910.028.61 
pyrroleCH(2,5)  6.836.436.486.72 6.736.666.796.776.626.84
pyrroleCH(3,4)  6.266.276.376.08 6.016.026.196.076.276.24
Name CD3CNCDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2acetone‑d6C6D5ClTFE‑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
triethylamineCH30.961.030.950.961.050.990.930.970.990.960.931.31
silicone greaseCH3 0.080.070.260.290.10 -0.060.110.090.130.140.16
Name CD3CNCDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2acetone‑d6C6D5ClTFE‑d3