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2-Nitrotoluene

Product Name 2-Nitrotoluene

CAS88-72-2

MFC7H7NO2

MW137.14

¹³CNMR

Mass

MS-NW-5503          
o-nitrotoluene
C7H7NO2             (Mass of molecular ion:    137)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.0
      27.0       3.1
      28.0       2.7
      30.0       3.1
      37.0       1.9
      38.0       4.2
      39.0      25.4
      40.0       1.9
      41.0       6.4
      50.0       7.2
      51.0      12.4
      52.0       4.0
      53.0       3.0
      61.0       2.2
      62.0       5.8
      63.0      17.3
      64.0       7.6
      65.0      79.7
      66.0       6.2
      74.0       1.9
      75.0       1.8
      76.0       1.7
      77.0      19.5
      78.0       4.7
      79.0       4.0
      86.0       1.3
      87.0       1.0
      89.0      17.5
      90.0       9.9
      91.0      60.6
      92.0      49.4
      93.0       6.2
     107.0       1.2
     120.0     100.0
     121.0       9.1
     137.0      12.5
     138.0       1.1

parameter in CDCl3

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	300 MHz
C₇ H₇ N O₂	5.0 mol% in CCl₄
o-nitrotoluene

    Parameter     ppm  Hz

      D(A)         7.288
      D(B)         7.429
      D(C)         7.293
      D(D)         7.895
       J(A,B)          7.61
       J(A,C)          1.45
       J(A,D)          0.35
       J(B,C)          7.28
       J(B,D)          1.35
       J(C,D)          8.18
     
      D(E)         2.59
     
     YAMAMOTO,O. ET AL. ANAL.CHEM. 44, 1794 (1972)

     Hz     ppm     Int.

   2373.62   7.912     69
   2372.04   7.907     73
   2370.46   7.902     17
   2368.23   7.894     14
   2365.01   7.883     80
   2363.82   7.879     85
   2237.45   7.458     31
   2236.11   7.454     32
   2230.08   7.434     86
   2229.18   7.431     55
   2228.24   7.427     49
   2222.70   7.409     64
   2221.31   7.404     61
   2196.17   7.321     37
   2194.63   7.315     76
   2190.62   7.302     94
   2189.19   7.297    130
   2187.41   7.291    111
   2185.97   7.287     30
   2183.20   7.277     63
   2181.47   7.272     75
   2180.58   7.269     59
   2179.04   7.263     28
    777.02   2.590   1000

¹H NMR	89.56 MHz
C₇ H₇ N O₂	0.04 ml : 0.5 ml CDCl₃
o-nitrotoluene

    Assign.     Shift(ppm)

      A             7.94
      B             7.48
      C          7.41 to 7.20
      D             2.589

     Hz     ppm     Int.

    716.94   8.006     67
    714.94   7.983     79
    712.88   7.960     42
    707.13   7.896    122
    707.00   7.895    122
    678.81   7.580     32
    672.69   7.512     69
    670.94   7.492     67
    669.56   7.477     47
    666.25   7.440    171
    664.38   7.419    164
    661.94   7.392    167
    660.13   7.371    146
    658.81   7.357    132
    655.50   7.320    103
    653.25   7.294     83
    650.75   7.267     66
    649.19   7.249     35
    646.69   7.221     30
    231.88   2.590   1000

¹H NMR	399.65 MHz
C₇ H₇ N O₂	0.05 ml : 0.5 ml CDCl₃
o-nitrotoluene

    Assign.     Shift(ppm)

      A             7.931
      B             7.487
      C             7.33
      D             7.33
      E             2.573

     Hz     ppm     Int.

   3174.93   7.945    152
   3173.46   7.941    149
   3170.90   7.935     40
   3169.31   7.931     32
   3166.26   7.923    166
   3165.16   7.920    163
   3001.22   7.510     78
   2999.88   7.507     80
   2993.77   7.491    180
   2992.31   7.488    148
   2986.21   7.473    117
   2984.86   7.469    114
   2934.81   7.344    139
   2934.20   7.342    133
   2932.37   7.338    165
   2931.76   7.336    190
   2931.03   7.334    181
   2930.30   7.333    148
   2929.57   7.331     97
   2927.25   7.325    186
   2925.66   7.321    116
   2924.93   7.319    133
   2924.19   7.317    142
   2923.46   7.316    133
   2920.41   7.308     86
   2919.80   7.306     87
   1038.82   2.600     38
   1028.20   2.573   1000
   1017.58   2.547     32

in CDCl3

CCl4 solution

liquid film

ANION RADICAL, ELECTROREDUCTION IN CH3CN

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