Alistair Boyer

Alistair Boyer

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13C NMR Shift Data for Common Impurities

Switch to 1H.
Click on the solvent name to sort by that solvent. Click on "name" to sort alphabetically.

Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
residual solvent77.2137.5128.149.0 39.567.253.8118.3206.3134.2126.3
 128.9    25.3 1.329.8 61.5
 128.0          
 125.1          
 20.4          
acetic acidCO176.0175.3175.8175.1177.2171.9171.7175.9173.2172.3175.7178.0
acetic acidCH320.820.320.420.621.021.020.120.920.720.520.420.9
acetoneCO207.1204.0204.4209.7215.9206.3204.2206.8207.4205.9204.832.4
acetoneCH330.930.030.130.730.930.630.231.030.930.630.1215.0
acetonitrileCN116.4115.8116.0118.1119.7117.9116.8116.9118.3117.6115.9119.0
acetonitrileCH31.90.00.20.91.51.00.52.01.81.10.61.0
allyl acetateCO170.8169.4169.7172.4174.8170.0170.1170.8 170.6169.6176.0
allyl acetateCHCH2 132.3133.0132.9133.7132.5132.7133.9132.9 133.8132.7133.3
allyl acetateCHCH2 118.3117.5117.6118.2119.0117.6117.6118.0 117.8117.6119.4
allyl acetateCH2 65.364.964.966.166.564.365.365.4 65.364.967.6
allyl acetateCH3 21.020.220.420.721.020.520.521.1 20.720.421.1
benzaldehydeHCO192.7191.1191.4194.1191.7193.1192.0192.6 193.0191.2197.6
benzaldehydeC(1) 136.6137.1137.1138.0136.1136.2137.8137.0 137.7136.8137.8
benzaldehydeC(4) 134.6133.9134.0135.6134.7134.5134.7134.8 135.1134.0137.2
benzaldehydeCH(2,6) 129.9129.6129.7130.6130.1129.5130.0130.0 130.2129.5131.8
benzaldehydeCH(3,5) 129.2128.7129.0130.1129.5129.1129.6129.4 129.9128.9130.8
benzeneCH128.4128.6128.6129.3 128.3128.8128.7129.3129.2128.4129.8
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
BHAC(1) 152.6153.5153.6154.3 152.5154.1153.1 154.0153.2153.7
BHAC(2,6) 147.9148.1148.1149.0 147.4148.6148.1 148.5147.9150.5
BHAC(4) 137.4137.3137.5141.4 141.2140.1137.8 140.3137.3140.2
BHACH(3,5) 110.7111.0111.2111.3 109.8110.9110.9 111.0110.8112.9
BHACH3O 55.755.055.356.0 54.955.455.9 55.555.157.6
BHA(CH3)3C 34.734.734.735.8 34.835.534.9 35.534.636.1
BHA(CH3)3C 30.330.330.430.8 30.330.730.4 30.630.230.8
BHTC(1) 151.6152.1152.1152.9 151.5152.5151.9152.4152.5151.7153.5
BHTC(2,6) 135.9136.1136.1139.1 139.1137.9136.3138.1138.2135.9138.6
BHTC(4) 128.3128.4128.5129.5 128.0128.6128.7129.6129.1128.3130.6
BHTCH(3,5) 125.6125.8125.8126.1 124.9125.7125.8126.4126.0125.6127.1
BHT(CH3)3C 34.334.434.435.4 34.334.934.635.135.034.135.7
BHT(CH3)3C 30.331.431.331.2 31.331.630.531.531.630.231.0
BHTCH3Ar 21.221.421.421.4 21.021.221.321.221.321.121.3
tert-butanol(CH3)3C 69.268.168.269.470.466.967.569.168.768.168.272.4
tert-butanol(CH3)3C 31.330.530.530.930.330.430.631.530.730.731.131.1
tert-butyl methyl etherC72.9 72.474.375.6   73.2   
tert-butyl methyl etherOCH349.5 49.249.749.4   49.5   
tert-butyl methyl etherCH327.0 27.127.226.6   27.3   
carbon dioxideCO2125.0124.9124.8126.3 124.2125.7125.3 125.8126.1126.9
carbon disulfideCS2192.8192.7192.7193.8197.3192.6193.4193.0 193.6192.5196.3
carbon tetrachlorideCCl496.396.696.497.296.795.496.996.5 96.796.497.7
carbonateCO154.9155.2155.2156.3157.8154.2155.4155.2 155.5154.9157.4
carbonateCHCH2 131.6132.3132.2133.3132.8132.2133.1132.2 133.2131.9132.7
carbonateCHCH2 119.0118.0118.2118.7118.8118.3117.7118.8 118.5118.2120.2
carbonateCH2 68.668.268.369.468.867.968.668.8 68.868.270.7
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
chloroformCH 77.477.977.879.4 79.279.278.079.279.277.778.8
18-crown-6CH2 70.670.970.671.570.169.971.370.5 71.370.670.8
cyclohexaneCH2 26.927.327.228.0 26.327.627.427.627.527.028.3
cyclohexanoneCO 212.6208.6209.1214.7221.2210.6208.8211.8 210.4209.3221.3
cyclohexanoneCH2(2,6) 42.041.841.842.642.041.342.242.3 42.241.843.2
cyclohexanoneCH2(3,5) 27.027.127.028.227.526.527.727.5 27.727.028.6
cyclohexanoneCH2(4) 25.025.225.025.924.824.325.825.4 25.625.126.0
1,2-dichloroethaneCH243.543.443.645.1 45.044.644.445.545.343.645.3
dichloromethaneCH253.553.553.554.8 54.854.754.255.355.053.554.5
diethyl etherCH2 65.965.965.966.966.462.166.166.166.366.165.867.6
diethyl etherCH315.215.515.515.514.815.115.515.415.615.815.415.3
diglymeCH2 71.972.472.472.971.671.372.772.372.672.672.171.3
diglymeCH2 70.570.970.971.370.169.571.270.771.071.070.673.1
diglymeCH359.058.658.759.158.758.058.759.058.958.858.459.4
1,2-dimethoxyethaneCH2 71.872.372.272.771.571.272.672.272.572.571.872.9
1,2-dimethoxyethaneCH359.158.658.759.158.758.058.759.058.958.558.359.5
dimethyl carbonateCO156.5156.6156.7157.9164.0155.8156.9156.7 157.0156.4159.0
dimethyl carbonateCH3 54.954.154.355.355.854.654.655.1 55.054.256.2
dimethyl malonateCO2167.2166.5166.7168.7170.1166.9167.1167.3 167.6166.5170.9
dimethyl malonateCH3 52.651.851.952.853.752.152.152.8 52.551.954.0
dimethyl malonateCH2 41.140.941.041.642.140.741.241.5 41.440.942.1
dimethyl sulfoxideCH340.840.440.040.539.440.541.241.341.341.240.340.1
dimethylacetamideCO 171.1169.7170.0173.3174.6169.5169.8171.1171.3170.6169.8175.7
dimethylacetamideNCH3 38.137.037.038.438.837.437.638.238.337.937.139.1
dimethylacetamideNCH3 35.334.634.735.535.034.434.635.235.234.934.636.3
dimethylacetamideCH321.521.121.221.321.121.321.221.621.821.521.021.4
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
dimethylformamideCH162.6161.9162.1164.7165.5162.3162.0162.6163.3162.8162.0166.0
dimethylformamideCH3 36.535.235.336.937.535.735.736.636.636.235.537.8
dimethylformamideCH3 31.530.630.731.632.030.730.731.431.331.030.731.0
1,4-dioxaneCH267.167.267.268.167.266.467.767.567.767.667.068.5
ethaneCH3 6.96.97.07.0 6.66.86.9 6.96.97.0
ethanolCH2 58.357.857.958.358.156.157.658.658.057.757.659.7
ethanolCH3 18.418.818.718.417.518.518.918.718.818.918.618.1
ethyl acetateCO 171.4170.0170.4172.9175.3170.3170.3171.2171.7171.0170.2175.6
ethyl acetateCH2 60.560.160.261.562.359.760.360.661.060.660.162.7
ethyl acetateCH3CO 21.020.520.620.921.220.720.521.221.220.820.521.2
ethyl acetateCH3 14.214.214.214.513.914.414.414.414.514.514.114.4
ethyl methyl ketoneCO 209.6206.3206.6212.2218.4208.7207.1209.6209.9208.3206.9218.3
ethyl methyl ketoneCH2CH3 36.936.336.437.337.335.836.637.037.136.836.438.2
ethyl methyl ketoneCH3CO 29.528.728.629.429.529.328.929.629.629.328.829.6
ethyl methyl ketoneCH2CH3 7.97.97.98.17.97.67.97.98.18.07.88.3
ethyleneCH2123.1122.9123.0123.5 123.5123.1123.2 123.5123.0124.1
ethylene glycolCH263.864.364.364.363.262.864.464.164.264.364.064.9
furanCH(2,5) 142.7142.7142.7143.7143.6142.8143.3143.0 143.5142.5144.2
furanCH(3,4) 109.6109.6109.7110.3110.2109.6109.9109.9 110.2109.6111.1
“grease?29.8 30.231.3    30.9   
H greaseCH229.730.330.2   30.530.1  30.1 
hexamethylbenzeneC132.2131.7131.8132.5 131.1131.9132.1 132.2131.5134.0
hexamethylbenzeneCH3 17.016.817.016.9 16.616.716.9 16.916.717.0
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
hexamethyldisiloxaneCH3 2.02.02.12.02.32.01.82.0 2.01.92.1
HMPACH3 36.936.836.937.036.536.436.937.037.137.036.637.2
n-hexaneCH2(3,4) 31.632.132.032.7 31.032.332.032.432.331.833.2
n-hexaneCH2(2,5) 22.723.123.023.7 22.123.323.123.423.322.924.1
n-hexaneCH3 14.114.314.314.5 13.914.214.314.414.314.214.6
imidazoleCH(2)135.4135.6135.8136.3136.7135.2135.7135.8 135.9135.5136.6
imidazoleCH(4,5) 122.0122.1122.2122.6122.4121.6122.2122.2 122.3122.0122.9
methaneCH4-4.6-4.3-4.3-4.9 -4.0-4.9-4.3 -5.3-4.3-5.9
methanolCH3 50.449.950.049.949.548.649.650.549.949.849.750.7
nitromethaneCH3 62.561.161.263.163.263.362.563.063.763.261.763.2
n-pentaneCH2(3)34.234.534.535.3 33.534.934.634.934.834.335.8
n-pentaneCH2(2,4)22.422.822.723.4 21.723.022.823.123.022.523.8
n-pentaneCH314.114.314.314.4 13.314.214.214.414.314.114.5
propaneCH316.616.716.716.8 16.316.616.6 16.716.616.9
propaneCH216.416.616.617.2 15.716.816.6 16.816.517.5
2-propanolCH64.564.164.264.764.964.966.164.764.363.964.266.7
2-propanolCH325.125.225.225.324.425.425.725.425.625.725.125.2
propyleneCH133.9133.6133.7134.6 133.6134.0134.2 134.3133.6136.0
propyleneCH2115.7115.9115.9116.0 116.1115.7115.7 116.0115.9116.4
propyleneCH319.519.319.419.5 19.219.319.5 19.419.319.6
pump oilCH229.830.330.231.4 29.330.630.1 30.430.131.9
pyridineCH(2,6)149.9150.3150.3150.1149.2149.6150.6150.3150.8150.7149.9149.8
pyridineCH(4)136.0135.2135.3138.4138.3136.1136.0136.2136.9136.6135.3139.6
pyridineCH(3,5)123.8123.5123.6125.5125.1123.8124.1124.1127.8124.6123.5126.3
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3
pyrroleCH(2,5)117.8117.6117.8118.3119.1117.3118.0117.9 118.0117.7119.6
pyrroleCH(3,4)108.0108.2108.2108.1107.8107.1107.7108.0 108.0108.0108.9
pyrrolidineCH2(2,5)46.947.146.947.246.846.545.847.0  46.847.4
pyrrolidineCH2(3,4)25.625.825.726.325.925.326.225.8  25.625.7
silicone greaseCH31.01.41.42.1  1.21.2 1.41.12.9
tetrahydrofuranCH2(2,5)68.067.867.868.868.767.068.068.268.368.167.669.5
tetrahydrofuranCH2(3,4)25.625.825.726.525.725.126.226.026.326.225.726.7
tolueneC(1)137.9137.8137.9138.9 137.4138.2138.4138.9138.5137.7139.9
tolueneCH(2,6)129.1129.3129.3129.9 128.9129.5129.4129.9129.8129.1130.6
tolueneCH(3,5)128.3128.5128.6129.2 128.2128.7128.5129.2129.0128.3129.8
tolueneCH(4)125.3125.7125.7126.3 125.3125.8125.6126.3126.1125.4126.8
tolueneCH321.521.421.121.5 21.021.321.521.521.521.221.6
triethylamineCH246.346.846.847.047.245.747.246.847.147.146.448.5
triethylamineCH311.612.412.411.19.111.712.512.112.412.511.99.5
Name CDCl3toluene‑d8C6D6CD3ODD2ODMSO‑d6THF‑d8CD2Cl2CD3CNacetone‑d6C6D5ClTFE‑d3

alistair@boyer-research.com

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University of Glasgow
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