99-52-5

4-硝基-2-甲苯胺(99-52-5)核磁图(¹HNMR)

产品名称:4-硝基-2-甲苯胺

CAS:99-52-5

分子式:C7H8N2O2

分子量: 152.15

InChI:InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3

InChIKey: XTTIQGSLJBWVIV-UHFFFAOYSA-N

Smiles:C1(N)=CC=C([N+]([O-])=O)C=C1C

Mass

MS-NW-1472          
4-nitro-o-toluidine
C7H8N2O2            (Mass of molecular ion:    152)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.4
      17.0       1.1
      18.0       5.3
      26.0       1.5
      27.0       6.9
      28.0      20.3
      29.0       1.8
      30.0       4.6
      31.0       2.0
      32.0       4.2
      37.0       2.1
      38.0       5.2
      39.0      17.3
      40.0       2.8
      41.0       7.9
      42.0       5.6
      44.0       1.3
      46.0       1.0
      50.0       8.8
      51.0      18.8
      52.0      16.8
      53.0      13.8
      54.0       9.1
      55.0       1.8
      61.0       1.2
      62.0       3.7
      63.0       8.9
      64.0       3.0
      65.0       6.3
      66.0       6.9
      67.0       4.6
      68.0       1.1
      74.0       2.7
      75.0       2.8
      76.0       3.5
      77.0      64.3
      78.0      17.8
      79.0      56.1
      80.0       6.6
      89.0       2.3
      91.0       2.1
      93.0       4.3
      94.0      14.9
      95.0       1.2
     104.0      13.8
     105.0       7.3
     106.0      41.0
     107.0       3.6
     122.0      54.4
     123.0       4.6
     136.0       3.5
     150.0       1.1
     151.0       1.0
     152.0     100.0
     153.0       9.0

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ N₂ O₂	0.039 g : 0.5 ml DMSO-d₆
4-nitro-o-toluidine

    Assign.     Shift(ppm)

      A             7.89
      B             7.88
      C             6.666
      D             6.49
      E             2.137
     
     90MHZ : HSP-05-905

     Hz     ppm     Int.

   3156.13   7.898     98
   3152.59   7.889    276
   3149.66   7.882     50
   3143.55   7.866    138
   3140.87   7.860     92
   2668.58   6.678    235
   2659.91   6.656    226
   2593.14   6.489    175
    854.00   2.137   1000

¹H NMR	89.56 MHz
C₇ H₈ N₂ O₂	0.088 g : 0.5 ml DMSO-d₆
4-nitro-o-toluidine

    Assign.     Shift(ppm)

      A             7.89
      B             7.88
      C             6.695
      D             6.48
      E             2.160
     
     A AND B WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    713.13   7.963     60
    710.38   7.932    223
    709.31   7.920    206
    707.13   7.896    174
    706.63   7.891    173
    703.69   7.858    180
    701.06   7.828     81
    604.31   6.748    203
    601.88   6.721     28
    600.25   6.703     71
    599.06   6.689     46
    598.50   6.683     44
    594.81   6.642    179
    591.06   6.600     24
    580.63   6.484    241
    193.50   2.161   1000

in DMSO-d6

in CDCl3