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13C NMR Shift Data for Common Impurities

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Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
residual solvent49.077.2137.5128.1 39.567.253.8118.3206.3134.2126.3
  128.9   25.3 1.329.8 61.5
  128.0         
  125.1         
  20.4         
cyclohexanoneCO 214.7212.6208.6209.1221.2210.6208.8211.8 210.4209.3221.3
ethyl methyl ketoneCO 212.2209.6206.3206.6218.4208.7207.1209.6209.9208.3206.9218.3
acetoneCO209.7207.1204.0204.4215.9206.3204.2206.8207.4205.9204.832.4
benzaldehydeHCO194.1192.7191.1191.4191.7193.1192.0192.6 193.0191.2197.6
carbon disulfideCS2193.8192.8192.7192.7197.3192.6193.4193.0 193.6192.5196.3
acetic acidCO175.1176.0175.3175.8177.2171.9171.7175.9173.2172.3175.7178.0
dimethylacetamideCO 173.3171.1169.7170.0174.6169.5169.8171.1171.3170.6169.8175.7
ethyl acetateCO 172.9171.4170.0170.4175.3170.3170.3171.2171.7171.0170.2175.6
allyl acetateCO172.4170.8169.4169.7174.8170.0170.1170.8 170.6169.6176.0
dimethyl malonateCO2168.7167.2166.5166.7170.1166.9167.1167.3 167.6166.5170.9
dimethylformamideCH164.7162.6161.9162.1165.5162.3162.0162.6163.3162.8162.0166.0
dimethyl carbonateCO157.9156.5156.6156.7164.0155.8156.9156.7 157.0156.4159.0
carbonateCO156.3154.9155.2155.2157.8154.2155.4155.2 155.5154.9157.4
BHAC(1) 154.3152.6153.5153.6 152.5154.1153.1 154.0153.2153.7
BHTC(1) 152.9151.6152.1152.1 151.5152.5151.9152.4152.5151.7153.5
pyridineCH(2,6)150.1149.9150.3150.3149.2149.6150.6150.3150.8150.7149.9149.8
BHAC(2,6) 149.0147.9148.1148.1 147.4148.6148.1 148.5147.9150.5
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
furanCH(2,5) 143.7142.7142.7142.7143.6142.8143.3143.0 143.5142.5144.2
BHAC(4) 141.4137.4137.3137.5 141.2140.1137.8 140.3137.3140.2
BHTC(2,6) 139.1135.9136.1136.1 139.1137.9136.3138.1138.2135.9138.6
tolueneC(1)138.9137.9137.8137.9 137.4138.2138.4138.9138.5137.7139.9
pyridineCH(4)138.4136.0135.2135.3138.3136.1136.0136.2136.9136.6135.3139.6
benzaldehydeC(1) 138.0136.6137.1137.1136.1136.2137.8137.0 137.7136.8137.8
imidazoleCH(2)136.3135.4135.6135.8136.7135.2135.7135.8 135.9135.5136.6
benzaldehydeC(4) 135.6134.6133.9134.0134.7134.5134.7134.8 135.1134.0137.2
propyleneCH134.6133.9133.6133.7 133.6134.0134.2 134.3133.6136.0
allyl acetateCHCH2 133.7132.3133.0132.9132.5132.7133.9132.9 133.8132.7133.3
carbonateCHCH2 133.3131.6132.3132.2132.8132.2133.1132.2 133.2131.9132.7
hexamethylbenzeneC132.5132.2131.7131.8 131.1131.9132.1 132.2131.5134.0
benzaldehydeCH(2,6) 130.6129.9129.6129.7130.1129.5130.0130.0 130.2129.5131.8
benzaldehydeCH(3,5) 130.1129.2128.7129.0129.5129.1129.6129.4 129.9128.9130.8
tolueneCH(2,6)129.9129.1129.3129.3 128.9129.5129.4129.9129.8129.1130.6
BHTC(4) 129.5128.3128.4128.5 128.0128.6128.7129.6129.1128.3130.6
benzeneCH129.3128.4128.6128.6 128.3128.8128.7129.3129.2128.4129.8
tolueneCH(3,5)129.2128.3128.5128.6 128.2128.7128.5129.2129.0128.3129.8
carbon dioxideCO2126.3125.0124.9124.8 124.2125.7125.3 125.8126.1126.9
tolueneCH(4)126.3125.3125.7125.7 125.3125.8125.6126.3126.1125.4126.8
BHTCH(3,5) 126.1125.6125.8125.8 124.9125.7125.8126.4126.0125.6127.1
pyridineCH(3,5)125.5123.8123.5123.6125.1123.8124.1124.1127.8124.6123.5126.3
ethyleneCH2123.5123.1122.9123.0 123.5123.1123.2 123.5123.0124.1
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
imidazoleCH(4,5) 122.6122.0122.1122.2122.4121.6122.2122.2 122.3122.0122.9
carbonateCHCH2 118.7119.0118.0118.2118.8118.3117.7118.8 118.5118.2120.2
pyrroleCH(2,5)118.3117.8117.6117.8119.1117.3118.0117.9 118.0117.7119.6
allyl acetateCHCH2 118.2118.3117.5117.6119.0117.6117.6118.0 117.8117.6119.4
acetonitrileCN118.1116.4115.8116.0119.7117.9116.8116.9118.3117.6115.9119.0
propyleneCH2116.0115.7115.9115.9 116.1115.7115.7 116.0115.9116.4
BHACH(3,5) 111.3110.7111.0111.2 109.8110.9110.9 111.0110.8112.9
furanCH(3,4) 110.3109.6109.6109.7110.2109.6109.9109.9 110.2109.6111.1
pyrroleCH(3,4)108.1108.0108.2108.2107.8107.1107.7108.0 108.0108.0108.9
carbon tetrachlorideCCl497.296.396.696.496.795.496.996.5 96.796.497.7
chloroformCH 79.477.477.977.8 79.279.278.079.279.277.778.8
tert-butyl methyl etherC74.372.9 72.475.6   73.2   
diglymeCH2 72.971.972.472.471.671.372.772.372.672.672.171.3
1,2-dimethoxyethaneCH2 72.771.872.372.271.571.272.672.272.572.571.872.9
18-crown-6CH2 71.570.670.970.670.169.971.370.5 71.370.670.8
diglymeCH2 71.370.570.970.970.169.571.270.771.071.070.673.1
tert-butanol(CH3)3C 69.469.268.168.270.466.967.569.168.768.168.272.4
carbonateCH2 69.468.668.268.368.867.968.668.8 68.868.270.7
tetrahydrofuranCH2(2,5)68.868.067.867.868.767.068.068.268.368.167.669.5
1,4-dioxaneCH268.167.167.267.267.266.467.767.567.767.667.068.5
diethyl etherCH2 66.965.965.965.966.462.166.166.166.366.165.867.6
allyl acetateCH2 66.165.364.964.966.564.365.365.4 65.364.967.6
2-propanolCH64.764.564.164.264.964.966.164.764.363.964.266.7
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
ethylene glycolCH264.363.864.364.363.262.864.464.164.264.364.064.9
nitromethaneCH3 63.162.561.161.263.263.362.563.063.763.261.763.2
ethyl acetateCH2 61.560.560.160.262.359.760.360.661.060.660.162.7
diglymeCH359.159.058.658.758.758.058.759.058.958.858.459.4
1,2-dimethoxyethaneCH359.159.158.658.758.758.058.759.058.958.558.359.5
ethanolCH2 58.358.357.857.958.156.157.658.658.057.757.659.7
BHACH3O 56.055.755.055.3 54.955.455.9 55.555.157.6
dimethyl carbonateCH3 55.354.954.154.355.854.654.655.1 55.054.256.2
dichloromethaneCH254.853.553.553.5 54.854.754.255.355.053.554.5
dimethyl malonateCH3 52.852.651.851.953.752.152.152.8 52.551.954.0
methanolCH3 49.950.449.950.049.548.649.650.549.949.849.750.7
tert-butyl methyl etherOCH349.749.5 49.249.4   49.5   
H greaseCH2 29.730.330.2  30.530.1  30.1 
pyrrolidineCH2(2,5)47.246.947.146.946.846.545.847.0  46.847.4
triethylamineCH247.046.346.846.847.245.747.246.847.147.146.448.5
1,2-dichloroethaneCH245.143.543.443.6 45.044.644.445.545.343.645.3
cyclohexanoneCH2(2,6) 42.642.041.841.842.041.342.242.3 42.241.843.2
dimethyl malonateCH2 41.641.140.941.042.140.741.241.5 41.440.942.1
dimethyl sulfoxideCH340.540.840.440.039.440.541.241.341.341.240.340.1
dimethylacetamideNCH3 38.438.137.037.038.837.437.638.238.337.937.139.1
ethyl methyl ketoneCH2CH3 37.336.936.336.437.335.836.637.037.136.836.438.2
HMPACH3 37.036.936.836.936.536.436.937.037.137.036.637.2
dimethylformamideCH3 36.936.535.235.337.535.735.736.636.636.235.537.8
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
BHA(CH3)3C 35.834.734.734.7 34.835.534.9 35.534.636.1
dimethylacetamideNCH3 35.535.334.634.735.034.434.635.235.234.934.636.3
BHT(CH3)3C 35.434.334.434.4 34.334.934.635.135.034.135.7
n-pentaneCH2(3)35.334.234.534.5 33.534.934.634.934.834.335.8
n-hexaneCH2(3,4) 32.731.632.132.0 31.032.332.032.432.331.833.2
dimethylformamideCH3 31.631.530.630.732.030.730.731.431.331.030.731.0
pump oilCH231.429.830.330.2 29.330.630.1 30.430.131.9
“grease�?31.329.8 30.2    30.9   
BHT(CH3)3C 31.230.331.431.3 31.331.630.531.531.630.231.0
tert-butanol(CH3)3C 30.931.330.530.530.330.430.631.530.730.731.131.1
BHA(CH3)3C 30.830.330.330.4 30.330.730.4 30.630.230.8
acetoneCH330.730.930.030.130.930.630.231.030.930.630.1215.0
ethyl methyl ketoneCH3CO 29.429.528.728.629.529.328.929.629.629.328.829.6
cyclohexanoneCH2(3,5) 28.227.027.127.027.526.527.727.5 27.727.028.6
cyclohexaneCH2 28.026.927.327.2 26.327.627.427.627.527.028.3
tert-butyl methyl etherCH327.227.0 27.126.6   27.3   
tetrahydrofuranCH2(3,4)26.525.625.825.725.725.126.226.026.326.225.726.7
pyrrolidineCH2(3,4)26.325.625.825.725.925.326.225.8  25.625.7
cyclohexanoneCH2(4) 25.925.025.225.024.824.325.825.4 25.625.126.0
2-propanolCH325.325.125.225.224.425.425.725.425.625.725.125.2
n-hexaneCH2(2,5) 23.722.723.123.0 22.123.323.123.423.322.924.1
n-pentaneCH2(2,4)23.422.422.822.7 21.723.022.823.123.022.523.8
tolueneCH321.521.521.421.1 21.021.321.521.521.521.221.6
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
BHTCH3Ar 21.421.221.421.4 21.021.221.321.221.321.121.3
dimethylacetamideCH321.321.521.121.221.121.321.221.621.821.521.021.4
ethyl acetateCH3CO 20.921.020.520.621.220.720.521.221.220.820.521.2
allyl acetateCH3 20.721.020.220.421.020.520.521.1 20.720.421.1
acetic acidCH320.620.820.320.421.021.020.120.920.720.520.420.9
propyleneCH319.519.519.319.4 19.219.319.5 19.419.319.6
ethanolCH3 18.418.418.818.717.518.518.918.718.818.918.618.1
propaneCH217.216.416.616.6 15.716.816.6 16.816.517.5
hexamethylbenzeneCH3 16.917.016.817.0 16.616.716.9 16.916.717.0
propaneCH316.816.616.716.7 16.316.616.6 16.716.616.9
diethyl etherCH315.515.215.515.514.815.115.515.415.615.815.415.3
ethyl acetateCH3 14.514.214.214.213.914.414.414.414.514.514.114.4
n-hexaneCH3 14.514.114.314.3 13.914.214.314.414.314.214.6
n-pentaneCH314.414.114.314.3 13.314.214.214.414.314.114.5
triethylamineCH311.111.612.412.49.111.712.512.112.412.511.99.5
ethyl methyl ketoneCH2CH3 8.17.97.97.97.97.67.97.98.18.07.88.3
ethaneCH3 7.06.96.97.0 6.66.86.9 6.96.97.0
silicone greaseCH32.11.01.41.4  1.21.2 1.41.12.9
hexamethyldisiloxaneCH3 2.02.02.02.12.32.01.82.0 2.01.92.1
acetonitrileCH30.91.90.00.21.51.00.52.01.81.10.61.0
methaneCH4-4.9-4.6-4.3-4.3 -4.0-4.9-4.3 -5.3-4.3-5.9
Name CD3ODCDCl3toluene‑d8C6D6D2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3