583-75-5

2-甲基-4-溴苯胺(583-75-5)Raman光谱

产品名称:2-甲基-4-溴苯胺

CAS:583-75-5

分子式:C7H8BrN

分子量: 186.05

InChI:InChI=1S/C7H8BrN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3

InChIKey: PCHYYOCUCGCSBU-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(Br)C=C1C

Mass

MS-NW-6224          
4-bromo-o-toluidine
C7H8BrN             (Mass of molecular ion:    185)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.2
      26.0       1.1
      27.0       3.6
      28.0       5.2
      30.0       4.7
      37.0       1.9
      38.0       3.9
      39.0       6.9
      39.5       1.0
      40.0       1.4
      41.0       2.9
      42.0       2.1
      49.0       1.1
      50.0       6.9
      51.0      12.0
      51.5       2.7
      52.0      10.4
      52.5       8.6
      53.0      12.4
      54.0       3.2
      61.0       1.5
      62.0       2.9
      63.0       5.8
      64.0       1.9
      65.0       2.7
      66.0       1.9
      74.0       2.5
      75.0       2.6
      76.0       2.7
      77.0      22.2
      78.0      13.6
      79.0      17.9
      80.0       2.6
      89.0       7.1
      90.0       1.6
      91.0       1.1
      92.5       3.0
      93.5       2.9
     104.0      10.3
     105.0       9.2
     106.0      84.4
     107.0       7.2
     184.0      18.4
     185.0     100.0
     186.0      25.2
     187.0      96.5
     188.0       8.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ Br N	0.041 g : 0.5 ml CDCl₃
4-bromo-o-toluidine

    Assign.     Shift(ppm)

      A             7.16
      B             7.08
      C             6.521
      D             3.55
      E             2.119

     Hz     ppm     Int.

    640.94   7.157    366
    640.25   7.149    394
    639.56   7.142    253
    638.81   7.133    155
    633.63   7.075    131
    633.06   7.069    138
    631.25   7.049     87
    630.69   7.043     88
    588.31   6.569    148
    587.00   6.555    105
    581.00   6.488     60
    579.63   6.472    114
    317.50   3.546     60
    189.81   2.120   1000

in CDCl3