99-55-8

2-氨基-4-硝基甲苯(99-55-8)质谱(MS)

产品名称:2-氨基-4-硝基甲苯

CAS:99-55-8

分子式:C7H8N2O2

分子量: 152.15

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

InChIKey: DSBIJCMXAIKKKI-UHFFFAOYSA-N

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

Mass

MS-NW-1783          
5-nitro-o-toluidine
C7H8N2O2            (Mass of molecular ion:    152)

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

      18.0       2.9
      26.0       1.1
      27.0       5.9
      28.0       8.4
      29.0       1.2
      30.0       3.5
      37.0       2.1
      38.0       5.0
      39.0      15.6
      40.0       2.4
      41.0       5.6
      42.0       5.3
      44.0       1.8
      46.0       1.1
      50.0       8.3
      51.0      18.5
      52.0      15.2
      53.0      13.3
      54.0       7.1
      55.0       1.2
      61.0       1.1
      62.0       3.3
      63.0       8.0
      64.0       2.7
      65.0       7.8
      66.0       7.3
      67.0       4.0
      68.0       1.0
      74.0       2.7
      75.0       2.4
      76.0       3.4
      77.0      73.4
      78.0      18.0
      79.0      62.8
      80.0       7.6
      89.0       2.5
      91.0       4.6
      92.0       1.5
      93.0       5.7
      94.0      15.0
      95.0       1.3
     104.0      13.1
     105.0       7.0
     106.0      84.2
     107.0       7.9
     122.0       4.7
     136.0       1.2
     152.0     100.0
     153.0       9.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ N₂ O₂	0.044 g : 0.5 ml CDCl₃
5-nitro-o-toluidine

    Assign.     Shift(ppm)

      A             7.52
      B             7.47
      C             7.14
      D             3.93
      E             2.218

     Hz     ppm     Int.

    678.38   7.575     61
    676.13   7.550    112
    669.13   7.472    495
    642.88   7.179    139
    642.38   7.173    138
    633.75   7.077     94
    351.88   3.929     76
    198.69   2.219   1000

in CDCl3