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o-Toluic acid

Product Name o-Toluic acid

CAS118-90-1

MFC8H8O2

MW136.15

¹³CNMR

Mass

MS-NW-1705          
o-toluic acid
C8H8O2              (Mass of molecular ion:    136)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.6
      26.0       1.5
      27.0       6.0
      28.0       7.1
      29.0       1.6
      32.0       1.7
      37.0       3.8
      38.0       7.8
      39.0      34.3
      40.0       3.2
      41.0       5.3
      43.0       3.1
      44.0       1.8
      45.0       6.6
      45.5       2.5
      49.0       1.8
      50.0      12.0
      51.0      18.1
      52.0       4.2
      53.0       4.2
      59.0       6.0
      61.0       4.7
      62.0      11.6
      63.0      27.0
      64.0       7.5
      65.0      38.1
      66.0       2.6
      74.0       3.6
      75.0       2.6
      76.0       1.5
      77.0      13.3
      78.0       2.0
      79.0       4.3
      85.0       1.5
      86.0       2.5
      87.0       1.8
      89.0      23.0
      90.0      78.7
      91.0     100.0
      92.0       9.9
     105.0       1.8
     107.0       1.8
     118.0      85.0
     119.0      27.5
     120.0       2.2
     135.0       2.7
     136.0      59.5
     137.0       5.5

400 MHz in CDCl3

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₈ O₂	0.036 g : 0.5 ml CDCl₃
o-toluic acid

    Assign.     Shift(ppm)

      A            11.8
      B             8.070
      C             7.439
      D             7.27
      E             7.27
      F             2.660

     Hz     ppm     Int.

   3230.14   8.083    107
   3228.68   8.079    140
   3221.35   8.061    143
   3220.43   8.059    123
   2981.40   7.461     66
   2980.12   7.457     68
   2973.89   7.442    151
   2972.98   7.439    120
   2966.56   7.423     99
   2965.10   7.420     94
   2914.00   7.292     98
   2906.67   7.274    326
   2898.98   7.254    224
   1063.28   2.661   1000

¹H NMR	89.56 MHz
C₈ H₈ O₂	0.039 g : 0.5 ml DMSO-d₆
o-toluic acid

    Assign.     Shift(ppm)

      A            12.4
      B             8.07
      C             7.42
      D          7.35 to 7.16
      E             2.662

     Hz     ppm     Int.

   1109.30  12.387    255
    728.37   8.133     83
    726.23   8.109     87
    723.84   8.083     44
    720.08   8.041    100
    718.63   8.025    120
    674.11   7.527     34
    668.47   7.464     73
    666.25   7.440     65
    664.20   7.417     45
    663.51   7.409     41
    661.72   7.389    176
    659.75   7.367    164
    657.02   7.337    147
    656.59   7.332    146
    654.37   7.307    137
    653.77   7.300    144
    652.83   7.290    158
    652.23   7.283    170
    651.21   7.272    133
    650.70   7.266    136
    650.18   7.260    123
    647.45   7.230    107
    646.94   7.224     85
    646.25   7.216     72
    645.48   7.208     65
    644.89   7.201     65
    642.07   7.170     42
    641.72   7.166     40
    238.49   2.663   1000

in CDCl3