TOLUENE-D8(2037-26-5) MS
Product NameTOLUENE-D8
CAS2037-26-5
Molecular FormulaC7D8
Molecular Weight100.19
InChIInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
InChIKey YXFVVABEGXRONW-JGUCLWPXSA-N
SmilesC1(C([2H])([2H])[2H])=C([2H])C(=C([2H])C([2H])=C1[2H])[2H]
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MassMS2019-05607CM toluene-d8 C7D8 (Mass of molecular ion: 100)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
14.0 1.6 18.0 3.1 28.0 8.1 30.0 7.3 38.0 2.9 40.0 7.6 42.0 24.9 44.0 2.5 46.0 2.2 48.0 5.2 49.0 1.7 50.0 4.1 52.0 9.7 54.0 14.9 56.0 2.7 58.0 1.5 62.0 1.9 64.0 4.0 66.0 9.4 68.0 1.8 70.0 15.1 72.0 1.5 76.0 1.5 82.0 1.9 94.0 2.8 96.0 1.3 97.0 5.7 98.0 100.0 99.0 13.0 100.0 82.7 101.0 6.4
400 MHz neat
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1H NMR 399.65 MHz C7 D8 neat toluene-d8 
Assign. Shift(ppm)
A 7.10 B 7.01 C 6.98 D 2.087
Hz ppm Int.2836.30 7.097 404 2835.33 7.095 365 2803.71 7.016 194 2802.73 7.013 189 2798.58 7.003 35 2797.85 7.001 32 2797.24 7.000 32 2795.90 6.996 32 2795.04 6.994 37 2788.21 6.977 1000 2787.23 6.975 983 838.62 2.099 166 836.43 2.093 340 834.23 2.088 499 831.91 2.082 365 829.71 2.077 196
neat
Liquid film
