60956-26-5

4-溴-2-硝基甲苯(60956-26-5)红外图谱(IR2)

产品名称:4-溴-2-硝基甲苯

CAS:60956-26-5

分子式:C7H6BrNO2

分子量: 216.03

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

InChIKey: KZNXALJXBRSMFL-UHFFFAOYSA-N

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

Mass

MS-IW-9443          
4-bromo-2-nitrotoluene
C7H6BrNO2           (Mass of molecular ion:    215)

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

      27.0       1.9
      28.0       3.7
      29.0       1.0
      30.0       3.1
      37.0       2.6
      38.0       5.7
      39.0      18.4
      40.0       2.2
      43.0       1.9
      44.0       1.6
      49.0       1.3
      50.0       8.0
      51.0      10.8
      52.0       2.9
      53.0       1.0
      61.0       3.6
      62.0      11.0
      63.0      36.0
      64.0      10.2
      65.0       2.8
      74.0       3.8
      75.0       4.6
      76.0       2.4
      77.0       9.5
      78.0      20.4
      79.0       1.7
      85.0       1.4
      86.0       2.8
      87.0       2.9
      88.0       2.7
      89.0      64.6
      90.0     100.0
      91.0      33.3
      92.0       4.4
     106.0       1.5
     117.0       2.4
     118.0       3.0
     119.0      26.5
     120.0       2.2
     143.0       7.3
     145.0       7.0
     157.0       1.2
     168.0       3.3
     169.0      12.8
     170.0      19.9
     171.0      14.8
     172.0      16.6
     173.0       2.6
     198.0      72.5
     199.0       6.6
     200.0      71.0
     201.0       6.2
     215.0      24.6
     216.0       2.1
     217.0      23.8
     218.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br N O₂	0.039 g : 0.5 ml CDCl₃
4-bromo-2-nitrotoluene

    Assign.     Shift(ppm)

      A             8.113
      B             7.620
      C             7.238
      D             2.556

     Hz     ppm     Int.

   3243.65   8.117    235
   3241.46   8.111    235
   3050.90   7.634    130
   3048.83   7.629    128
   3042.72   7.614    145
   3040.65   7.609    141
   2896.85   7.249    161
   2896.12   7.247    162
   2888.67   7.229    143
   2887.94   7.227    147
   1021.85   2.557    997
   1021.48   2.556   1000

in CDCl3