TOLUENE-D8(2037-26-5) ¹³C NMR

Product NameTOLUENE-D8

CAS 2037-26-5

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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Mass

MS2019-05607CM      
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

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