570-24-1

2-甲基-6-硝基苯胺(570-24-1)核磁图(¹³CNMR)

产品名称:2-甲基-6-硝基苯胺

CAS:570-24-1

分子式:C7H8N2O2

分子量: 152.15

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

InChIKey: FCMRHMPITHLLLA-UHFFFAOYSA-N

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

Mass

MS-NW-6711          
6-nitro-o-toluidine
C7H8N2O2            (Mass of molecular ion:    152)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.7
      27.0       4.3
      28.0       7.3
      30.0       2.7
      37.0       1.6
      38.0       3.0
      39.0      10.6
      40.0       1.3
      41.0       2.8
      42.0       2.1
      44.0       1.1
      50.0       5.0
      51.0      12.1
      52.0      10.9
      53.0       7.8
      54.0       3.3
      62.0       1.6
      63.0       4.4
      64.0       2.6
      65.0       5.8
      66.0       4.5
      67.0       2.3
      74.0       1.3
      75.0       1.6
      76.0       3.2
      77.0      43.4
      78.0      12.6
      79.0      37.0
      80.0       5.0
      89.0       1.8
      90.0       2.4
      91.0       5.7
      92.0       1.2
      93.0       2.2
      94.0       9.5
     103.0       2.1
     104.0      15.9
     105.0      14.4
     106.0      40.9
     107.0       4.1
     116.0       5.9
     117.0       5.5
     118.0       1.1
     122.0       4.3
     134.0       3.4
     135.0       9.1
     136.0       2.3
     151.0       1.0
     152.0     100.0
     153.0       8.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ N₂ O₂	0.043 g : 0.5 ml CDCl₃
6-nitro-o-toluidine

    Assign.     Shift(ppm)

      A             8.007
      B             7.268
      C             6.620
      D             6.14
      E             2.235

     Hz     ppm     Int.

    722.69   8.070     89
    722.13   8.064     93
    721.13   8.052     99
    720.56   8.046     87
    714.00   7.973    101
    713.50   7.967    104
    712.44   7.955    112
    711.88   7.949     97
    655.94   7.325     84
    655.13   7.315    100
    654.31   7.306    105
    653.50   7.297     79
    649.63   7.254     45
    648.81   7.245    108
    648.00   7.236    133
    647.19   7.227    126
    646.38   7.218     93
    600.19   6.702    154
    593.06   6.622    124
    591.50   6.605    141
    584.38   6.526    108
    200.13   2.235   1000

in CDCl3