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13C NMR Shift Data for Common Impurities

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Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
residual solvent39.577.2137.5128.149.0 67.253.8118.3206.3134.2126.3
  128.9   25.3 1.329.8 61.5
  128.0         
  125.1         
  20.4         
cyclohexanoneCO 210.6212.6208.6209.1214.7221.2208.8211.8 210.4209.3221.3
ethyl methyl ketoneCO 208.7209.6206.3206.6212.2218.4207.1209.6209.9208.3206.9218.3
acetoneCO206.3207.1204.0204.4209.7215.9204.2206.8207.4205.9204.832.4
benzaldehydeHCO193.1192.7191.1191.4194.1191.7192.0192.6 193.0191.2197.6
tert-butyl methyl etherOCH3 49.5 49.249.749.4  49.5   
tert-butyl methyl etherC 72.9 72.474.375.6  73.2   
tert-butyl methyl etherCH3 27.0 27.127.226.6  27.3   
carbon disulfideCS2192.6192.8192.7192.7193.8197.3193.4193.0 193.6192.5196.3
acetic acidCO171.9176.0175.3175.8175.1177.2171.7175.9173.2172.3175.7178.0
ethyl acetateCO 170.3171.4170.0170.4172.9175.3170.3171.2171.7171.0170.2175.6
allyl acetateCO170.0170.8169.4169.7172.4174.8170.1170.8 170.6169.6176.0
dimethylacetamideCO 169.5171.1169.7170.0173.3174.6169.8171.1171.3170.6169.8175.7
dimethyl malonateCO2166.9167.2166.5166.7168.7170.1167.1167.3 167.6166.5170.9
dimethylformamideCH162.3162.6161.9162.1164.7165.5162.0162.6163.3162.8162.0166.0
dimethyl carbonateCO155.8156.5156.6156.7157.9164.0156.9156.7 157.0156.4159.0
carbonateCO154.2154.9155.2155.2156.3157.8155.4155.2 155.5154.9157.4
BHAC(1) 152.5152.6153.5153.6154.3 154.1153.1 154.0153.2153.7
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
BHTC(1) 151.5151.6152.1152.1152.9 152.5151.9152.4152.5151.7153.5
pyridineCH(2,6)149.6149.9150.3150.3150.1149.2150.6150.3150.8150.7149.9149.8
BHAC(2,6) 147.4147.9148.1148.1149.0 148.6148.1 148.5147.9150.5
furanCH(2,5) 142.8142.7142.7142.7143.7143.6143.3143.0 143.5142.5144.2
BHAC(4) 141.2137.4137.3137.5141.4 140.1137.8 140.3137.3140.2
BHTC(2,6) 139.1135.9136.1136.1139.1 137.9136.3138.1138.2135.9138.6
tolueneC(1)137.4137.9137.8137.9138.9 138.2138.4138.9138.5137.7139.9
benzaldehydeC(1) 136.2136.6137.1137.1138.0136.1137.8137.0 137.7136.8137.8
pyridineCH(4)136.1136.0135.2135.3138.4138.3136.0136.2136.9136.6135.3139.6
imidazoleCH(2)135.2135.4135.6135.8136.3136.7135.7135.8 135.9135.5136.6
benzaldehydeC(4) 134.5134.6133.9134.0135.6134.7134.7134.8 135.1134.0137.2
propyleneCH133.6133.9133.6133.7134.6 134.0134.2 134.3133.6136.0
allyl acetateCHCH2 132.7132.3133.0132.9133.7132.5133.9132.9 133.8132.7133.3
carbonateCHCH2 132.2131.6132.3132.2133.3132.8133.1132.2 133.2131.9132.7
hexamethylbenzeneC131.1132.2131.7131.8132.5 131.9132.1 132.2131.5134.0
benzaldehydeCH(2,6) 129.5129.9129.6129.7130.6130.1130.0130.0 130.2129.5131.8
benzaldehydeCH(3,5) 129.1129.2128.7129.0130.1129.5129.6129.4 129.9128.9130.8
tolueneCH(2,6)128.9129.1129.3129.3129.9 129.5129.4129.9129.8129.1130.6
benzeneCH128.3128.4128.6128.6129.3 128.8128.7129.3129.2128.4129.8
tolueneCH(3,5)128.2128.3128.5128.6129.2 128.7128.5129.2129.0128.3129.8
BHTC(4) 128.0128.3128.4128.5129.5 128.6128.7129.6129.1128.3130.6
tolueneCH(4)125.3125.3125.7125.7126.3 125.8125.6126.3126.1125.4126.8
BHTCH(3,5) 124.9125.6125.8125.8126.1 125.7125.8126.4126.0125.6127.1
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
carbon dioxideCO2124.2125.0124.9124.8126.3 125.7125.3 125.8126.1126.9
pyridineCH(3,5)123.8123.8123.5123.6125.5125.1124.1124.1127.8124.6123.5126.3
ethyleneCH2123.5123.1122.9123.0123.5 123.1123.2 123.5123.0124.1
imidazoleCH(4,5) 121.6122.0122.1122.2122.6122.4122.2122.2 122.3122.0122.9
carbonateCHCH2 118.3119.0118.0118.2118.7118.8117.7118.8 118.5118.2120.2
acetonitrileCN117.9116.4115.8116.0118.1119.7116.8116.9118.3117.6115.9119.0
allyl acetateCHCH2 117.6118.3117.5117.6118.2119.0117.6118.0 117.8117.6119.4
pyrroleCH(2,5)117.3117.8117.6117.8118.3119.1118.0117.9 118.0117.7119.6
propyleneCH2116.1115.7115.9115.9116.0 115.7115.7 116.0115.9116.4
BHACH(3,5) 109.8110.7111.0111.2111.3 110.9110.9 111.0110.8112.9
furanCH(3,4) 109.6109.6109.6109.7110.3110.2109.9109.9 110.2109.6111.1
pyrroleCH(3,4)107.1108.0108.2108.2108.1107.8107.7108.0 108.0108.0108.9
carbon tetrachlorideCCl495.496.396.696.497.296.796.996.5 96.796.497.7
chloroformCH 79.277.477.977.879.4 79.278.079.279.277.778.8
diglymeCH2 71.371.972.472.472.971.672.772.372.672.672.171.3
1,2-dimethoxyethaneCH2 71.271.872.372.272.771.572.672.272.572.571.872.9
18-crown-6CH2 69.970.670.970.671.570.171.370.5 71.370.670.8
diglymeCH2 69.570.570.970.971.370.171.270.771.071.070.673.1
carbonateCH2 67.968.668.268.369.468.868.668.8 68.868.270.7
tetrahydrofuranCH2(2,5)67.068.067.867.868.868.768.068.268.368.167.669.5
tert-butanol(CH3)3C 66.969.268.168.269.470.467.569.168.768.168.272.4
1,4-dioxaneCH266.467.167.267.268.167.267.767.567.767.667.068.5
2-propanolCH64.964.564.164.264.764.966.164.764.363.964.266.7
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
allyl acetateCH2 64.365.364.964.966.166.565.365.4 65.364.967.6
nitromethaneCH3 63.362.561.161.263.163.262.563.063.763.261.763.2
ethylene glycolCH262.863.864.364.364.363.264.464.164.264.364.064.9
diethyl etherCH2 62.165.965.965.966.966.466.166.166.366.165.867.6
ethyl acetateCH2 59.760.560.160.261.562.360.360.661.060.660.162.7
1,2-dimethoxyethaneCH358.059.158.658.759.158.758.759.058.958.558.359.5
diglymeCH358.059.058.658.759.158.758.759.058.958.858.459.4
ethanolCH2 56.158.357.857.958.358.157.658.658.057.757.659.7
BHACH3O 54.955.755.055.356.0 55.455.9 55.555.157.6
dichloromethaneCH254.853.553.553.554.8 54.754.255.355.053.554.5
dimethyl carbonateCH3 54.654.954.154.355.355.854.655.1 55.054.256.2
dimethyl malonateCH3 52.152.651.851.952.853.752.152.8 52.551.954.0
H greaseCH2 29.730.330.2  30.530.1  30.1 
“grease�? 29.8 30.231.3   30.9   
methanolCH3 48.650.449.950.049.949.549.650.549.949.849.750.7
pyrrolidineCH2(2,5)46.546.947.146.947.246.845.847.0  46.847.4
silicone greaseCH3 1.01.41.42.1 1.21.2 1.41.12.9
triethylamineCH245.746.346.846.847.047.247.246.847.147.146.448.5
1,2-dichloroethaneCH245.043.543.443.645.1 44.644.445.545.343.645.3
cyclohexanoneCH2(2,6) 41.342.041.841.842.642.042.242.3 42.241.843.2
dimethyl malonateCH2 40.741.140.941.041.642.141.241.5 41.440.942.1
dimethyl sulfoxideCH340.540.840.440.040.539.441.241.341.341.240.340.1
dimethylacetamideNCH3 37.438.137.037.038.438.837.638.238.337.937.139.1
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
HMPACH3 36.436.936.836.937.036.536.937.037.137.036.637.2
ethyl methyl ketoneCH2CH3 35.836.936.336.437.337.336.637.037.136.836.438.2
dimethylformamideCH3 35.736.535.235.336.937.535.736.636.636.235.537.8
BHA(CH3)3C 34.834.734.734.735.8 35.534.9 35.534.636.1
dimethylacetamideNCH3 34.435.334.634.735.535.034.635.235.234.934.636.3
BHT(CH3)3C 34.334.334.434.435.4 34.934.635.135.034.135.7
n-pentaneCH2(3)33.534.234.534.535.3 34.934.634.934.834.335.8
BHT(CH3)3C 31.330.331.431.331.2 31.630.531.531.630.231.0
n-hexaneCH2(3,4) 31.031.632.132.032.7 32.332.032.432.331.833.2
dimethylformamideCH3 30.731.530.630.731.632.030.731.431.331.030.731.0
acetoneCH330.630.930.030.130.730.930.231.030.930.630.1215.0
tert-butanol(CH3)3C 30.431.330.530.530.930.330.631.530.730.731.131.1
BHA(CH3)3C 30.330.330.330.430.8 30.730.4 30.630.230.8
pump oilCH229.329.830.330.231.4 30.630.1 30.430.131.9
ethyl methyl ketoneCH3CO 29.329.528.728.629.429.528.929.629.629.328.829.6
cyclohexanoneCH2(3,5) 26.527.027.127.028.227.527.727.5 27.727.028.6
cyclohexaneCH2 26.326.927.327.228.0 27.627.427.627.527.028.3
2-propanolCH325.425.125.225.225.324.425.725.425.625.725.125.2
pyrrolidineCH2(3,4)25.325.625.825.726.325.926.225.8  25.625.7
tetrahydrofuranCH2(3,4)25.125.625.825.726.525.726.226.026.326.225.726.7
cyclohexanoneCH2(4) 24.325.025.225.025.924.825.825.4 25.625.126.0
n-hexaneCH2(2,5) 22.122.723.123.023.7 23.323.123.423.322.924.1
n-pentaneCH2(2,4)21.722.422.822.723.4 23.022.823.123.022.523.8
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
dimethylacetamideCH321.321.521.121.221.321.121.221.621.821.521.021.4
tolueneCH321.021.521.421.121.5 21.321.521.521.521.221.6
BHTCH3Ar 21.021.221.421.421.4 21.221.321.221.321.121.3
acetic acidCH321.020.820.320.420.621.020.120.920.720.520.420.9
ethyl acetateCH3CO 20.721.020.520.620.921.220.521.221.220.820.521.2
allyl acetateCH3 20.521.020.220.420.721.020.521.1 20.720.421.1
propyleneCH319.219.519.319.419.5 19.319.5 19.419.319.6
ethanolCH3 18.518.418.818.718.417.518.918.718.818.918.618.1
hexamethylbenzeneCH3 16.617.016.817.016.9 16.716.9 16.916.717.0
propaneCH316.316.616.716.716.8 16.616.6 16.716.616.9
propaneCH215.716.416.616.617.2 16.816.6 16.816.517.5
diethyl etherCH315.115.215.515.515.514.815.515.415.615.815.415.3
ethyl acetateCH3 14.414.214.214.214.513.914.414.414.514.514.114.4
n-hexaneCH3 13.914.114.314.314.5 14.214.314.414.314.214.6
n-pentaneCH313.314.114.314.314.4 14.214.214.414.314.114.5
triethylamineCH311.711.612.412.411.19.112.512.112.412.511.99.5
ethyl methyl ketoneCH2CH3 7.67.97.97.98.17.97.97.98.18.07.88.3
ethaneCH3 6.66.96.97.07.0 6.86.9 6.96.97.0
hexamethyldisiloxaneCH3 2.02.02.02.12.02.31.82.0 2.01.92.1
acetonitrileCH31.01.90.00.20.91.50.52.01.81.10.61.0
methaneCH4-4.0-4.6-4.3-4.3-4.9 -4.9-4.3 -5.3-4.3-5.9
Name DMSO‑d6CDCl3toluene‑d8C6D6CD3ODD2OTHF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3