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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

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    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

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

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KBr disc

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nujol mull

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