612-28-2

N-甲基-2-硝基苯胺(612-28-2)質(zhì)譜(MS)

產(chǎn)品名稱:N-甲基-2-硝基苯胺

CAS:612-28-2

分子式:C7H8N2O2

分子量: 152.15

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

InChIKey: KFBOUJZFFJDYTA-UHFFFAOYSA-N

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

Mass

MS-NW-8924          
N-methyl-o-nitroaniline
C7H8N2O2            (Mass of molecular ion:    152)

   Source Temperature: 270 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.2
      18.0       2.1
      27.0       2.4
      28.0       7.3
      30.0       4.9
      38.0       2.9
      39.0       9.0
      40.0       1.1
      41.0       2.6
      42.0       2.0
      50.0       7.1
      51.0      22.9
      52.0      12.8
      53.0       3.3
      54.0       1.1
      62.0       2.0
      63.0      10.7
      64.0      11.1
      65.0      10.2
      66.0       4.0
      67.0       1.4
      74.0       2.0
      75.0       2.5
      76.0       5.3
      77.0      95.3
      78.0      31.6
      79.0      69.9
      80.0      10.5
      90.0       4.8
      91.0      13.6
      92.0       8.1
      93.0       5.1
      94.0       3.6
     104.0      27.9
     105.0      58.8
     106.0      39.0
     107.0       8.7
     108.0       1.1
     118.0      11.7
     119.0       9.2
     120.0       1.8
     122.0       1.2
     123.0       1.2
     134.0       2.6
     135.0       8.5
     136.0       1.1
     151.0       1.4
     152.0     100.0
     153.0       9.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₈ N₂ O₂	0.039 g : 0.5 ml CDCl₃
N-methyl-o-nitroaniline

    Assign.     Shift(ppm)

      A             8.153
      B             8.03
      C             7.455
      D             6.833
      E             6.639
      F             3.015
     
     J(A,C)=1.5HZ
     J(A,D)=0.6HZ
     J(A,E)=8.7HZ
     J(C,D)=8.6HZ
     J(C,E)=7.0HZ
     J(D,E)=1.2HZ
     J(B,F)=5.1HZ

     Hz     ppm     Int.

   3263.55   8.167    184
   3262.08   8.163    184
   3255.00   8.145    190
   3253.42   8.141    188
   2988.40   7.478     76
   2987.79   7.477     79
   2986.82   7.474     80
   2986.21   7.473     75
   2981.45   7.461     90
   2980.83   7.459     98
   2979.86   7.457    156
   2979.25   7.455    152
   2978.15   7.452     95
   2977.54   7.451     84
   2972.90   7.439     86
   2972.29   7.438     88
   2971.19   7.435     86
   2970.58   7.433     77
   2735.35   6.845    176
   2734.50   6.843    177
   2726.68   6.823    165
   2725.83   6.821    163
   2661.74   6.661    127
   2660.52   6.658    124
   2654.91   6.644    137
   2653.44   6.640    183
   2651.98   6.636    128
   2646.24   6.622    121
   2645.02   6.619    115
   1207.64   3.022   1000
   1202.51   3.009    985

in CDCl3