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99-94-5

p-Toluic acid

Product Name p-Toluic acid

CAS99-94-5

MFC8H8O2

MW136.15

More

  • 99-94-5_ms
    Mass

    MS-NW-1535          
    p-toluic acid
    C8H8O2              (Mass of molecular ion:    136)
    

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

          27.0       2.9
          28.0       2.3
          37.0       1.5
          38.0       3.4
          39.0      15.9
          40.0       1.6
          41.0       3.2
          43.0       1.8
          45.0       3.2
          45.5       1.7
          50.0       6.1
          51.0       7.6
          52.0       1.7
          53.0       1.7
          59.0       2.5
          61.0       1.9
          62.0       4.9
          63.0      11.7
          64.0       2.9
          65.0      21.9
          66.0       1.5
          74.0       1.6
          75.0       1.2
          77.0       4.4
          79.0       1.2
          86.0       1.2
          89.0       7.8
          90.0       6.5
          91.0     100.0
          92.0      17.9
          93.0       1.1
         107.0       4.6
         108.0       1.1
         118.0       1.9
         119.0      61.6
         120.0       5.7
         135.0       2.0
         136.0      75.7
         137.0       6.9
    

90 MHz in DMSO-d6

in DMSO_d6

  • 99-94-5_1hnmr

    1H NMR 89.56 MHz
    C8 H8 O2 0.044 g : 0.5 ml DMSO-d6
    p-toluic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.77 B 7.865 C 7.306 D 2.375

         Hz     ppm     Int.
    

       1143.74  12.771     72
        710.94   7.939     44
        709.14   7.919    314
        707.52   7.900    112
        702.73   7.847    120
        701.03   7.828    445
        699.32   7.809     76
        658.39   7.352    300
        657.79   7.345    334
        649.84   7.256    260
        649.24   7.250    204
        212.77   2.376   1000
    

  • 99-94-5_1hnmr_2
    1HNMR (400 MHz, DMSO) δ 12.80(s, 1H), 7.84 (d, J = 6.48 Hz, 2H), 7.29 (d, J = 7.88 Hz, 2H) 2.36 (s, 3H);

in DMSO_d6

in DMSO-d6

  • 99-94-5_13cnmr_2
    13C NMR (100MHz, DMSO) δ 167.80, 143.46, 129.80, 129.55, 128.52, 21.55, 126.75.

  • 99-94-5_13cnmr

KBr disc

nujol mull

4880 A,200 M,powder