7745-93-9

2-溴-4-硝基甲苯(7745-93-9)质谱(MS)

产品名称:2-溴-4-硝基甲苯

CAS:7745-93-9

分子式:C7H6BrNO2

分子量: 216.03

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

InChIKey: XFZFJQHXWJIBQV-UHFFFAOYSA-N

Smiles:C1(C)=CC=C([N+]([O-])=O)C=C1Br

Mass

MS-NW-9386          
2-bromo-4-nitrotoluene
C7H6BrNO2           (Mass of molecular ion:    215)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.0
      27.0       1.4
      28.0       2.4
      30.0       9.8
      37.0       1.7
      38.0       3.6
      39.0      14.3
      40.0       1.9
      43.0       1.1
      49.0       1.1
      50.0       6.5
      51.0       9.5
      52.0       2.4
      61.0       3.3
      62.0      10.4
      63.0      30.9
      64.0       8.2
      65.0       1.6
      74.0       3.0
      75.0       3.0
      76.0       1.0
      77.0      12.2
      78.0      22.2
      79.0       1.5
      85.0       1.5
      86.0       3.1
      87.0       3.1
      88.0       2.3
      89.0      59.9
      90.0      98.7
      91.0       7.5
     105.0      18.0
     106.0       3.8
     117.0       1.6
     119.0       1.7
     143.0       2.4
     145.0       2.0
     157.0       5.0
     159.0       4.9
     169.0      41.1
     170.0       3.8
     171.0      40.3
     172.0       3.1
     185.0      11.8
     186.0       1.1
     187.0      11.4
     199.0       1.4
     201.0       1.4
     215.0     100.0
     216.0       8.5
     217.0      97.8
     218.0       8.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br N O₂	0.029 g : 0.5 ml CDCl₃
2-bromo-4-nitrotoluene

    Assign.     Shift(ppm)

      A             8.403
      B             8.075
      C             7.406
      D             2.508

     Hz     ppm     Int.

   3359.74   8.407    215
   3357.42   8.401    222
   3232.91   8.090    116
   3230.59   8.084    113
   3224.61   8.069    124
   3222.17   8.063    119
   2964.60   7.418    155
   2963.99   7.417    154
   2956.30   7.398    146
   1002.56   2.509   1000

in CDCl3