5326-34-1

4-溴-3-硝基甲苯(5326-34-1)红外图谱(IR2)

产品名称:4-溴-3-硝基甲苯

CAS:5326-34-1

分子式:C7H6BrNO2

分子量: 216.03

InChI:InChI=1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

InChIKey: UPBUTKQMDPHQAQ-UHFFFAOYSA-N

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

Mass

MS-IW-9453          
4-bromo-3-nitrotoluene
C7H6BrNO2           (Mass of molecular ion:    215)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.6
      28.0       3.7
      30.0      10.0
      37.0       2.4
      38.0       4.7
      39.0      18.6
      40.0       2.3
      41.0       1.1
      43.0       1.3
      44.0       1.2
      49.0       1.2
      50.0       8.0
      51.0       9.0
      52.0       3.2
      53.0       2.3
      61.0       3.1
      62.0       9.8
      63.0      30.8
      64.0       8.5
      65.0       5.1
      74.0       3.4
      75.0       3.2
      76.0       1.3
      77.0      17.0
      78.0      42.5
      79.0       3.5
      80.0       2.0
      81.0       1.0
      82.0       1.7
      85.0       1.1
      86.0       2.3
      87.0       2.7
      88.0       2.4
      89.0      59.1
      90.0     100.0
      91.0      11.2
      92.0       1.4
     105.0       2.4
     106.0      11.5
     107.0       1.3
     108.0       1.6
     117.0       2.3
     119.0       2.7
     136.0       3.7
     137.0       1.9
     143.0       2.6
     145.0       2.2
     157.0      13.1
     158.0       1.0
     159.0      12.8
     168.0       1.3
     169.0      28.2
     170.0       3.5
     171.0      27.3
     172.0       2.3
     185.0       5.8
     187.0       5.7
     199.0       1.5
     201.0       1.5
     215.0      49.6
     216.0       4.4
     217.0      48.4
     218.0       4.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br N O₂	0.05 ml : 0.5 ml CDCl₃
4-bromo-3-nitrotoluene

    Assign.     Shift(ppm)

      A             7.655
      B             7.601
      C             7.243
      D             2.400

     Hz     ppm     Int.

   3060.79   7.659    163
   3059.33   7.656    171
   3058.84   7.654    165
   3042.11   7.612    213
   3033.94   7.592    240
   2900.02   7.257     98
   2899.29   7.255    107
   2898.56   7.253     88
   2897.95   7.252    107
   2897.22   7.250    105
   2891.85   7.236     89
   2891.11   7.235     97
   2890.38   7.233     79
   2889.65   7.231     95
   2889.04   7.229     92
    959.11   2.400   1000

in CDCl3