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7149-70-4

2-溴-5-硝甲苯(7149-70-4)核磁图(1HNMR)

产品名称:2-溴-5-硝甲苯

CAS:7149-70-4

分子式:C7H6BrNO2

分子量: 216.03

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

InChIKey: HIMGPQVBNICCGL-UHFFFAOYSA-N

Smiles:C1(Br)=CC=C([N+]([O-])=O)C=C1C

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    Mass

    MS-IW-0893          
    2-bromo-5-nitrotoluene
    C7H6BrNO2           (Mass of molecular ion:    215)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       2.6
          30.0       6.6
          37.0       1.1
          38.0       2.8
          39.0       9.9
          40.0       1.4
          50.0       3.8
          51.0       6.6
          52.0       1.7
          61.0       2.0
          62.0       6.3
          63.0      20.3
          64.0       5.5
          65.0       1.3
          74.0       2.0
          75.0       1.8
          77.0       7.4
          78.0      14.4
          79.0       1.1
          85.0       1.0
          86.0       2.1
          87.0       1.9
          88.0       1.4
          89.0      46.9
          90.0      92.1
          91.0       7.4
         105.0       2.6
         106.0       3.9
         117.0       1.2
         119.0       1.3
         143.0       1.9
         145.0       1.8
         157.0      15.3
         158.0       1.1
         159.0      15.0
         160.0       1.0
         168.0       1.2
         169.0      43.5
         170.0       4.6
         171.0      42.4
         172.0       3.4
         185.0      23.6
         186.0       2.0
         187.0      23.2
         188.0       1.8
         199.0       1.6
         201.0       1.6
         215.0     100.0
         216.0       8.6
         217.0      97.8
         218.0       8.1
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H6 Br N O2 0.034 g : 0.5 ml CDCl3
    2-bromo-5-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.081 B 7.878 C 7.697 D 2.503 J(A,B)=2.6HZ J(A,D)=0.6HZ J(B,C)=8.7HZ J(B,D)=0.5HZ

         Hz     ppm     Int.
    

        725.13   8.097    141
        724.50   8.090    127
        723.75   8.082    114
        723.06   8.074    153
        722.56   8.068    174
        721.88   8.061    136
        712.88   7.960     74
        712.31   7.954     71
        704.19   7.863    141
        703.63   7.857    143
        701.56   7.834    120
        701.06   7.828    113
        691.81   7.725    276
        683.19   7.629    109
        224.25   2.504   1000
    

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    1H NMR 399.65 MHz
    C7 H6 Br N O2 0.039 g : 0.5 ml CDCl3
    2-bromo-5-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.102 B 7.908 C 7.701 D 2.507

         Hz     ppm     Int.
    

       3239.26   8.106    163
       3236.57   8.099    167
       3166.38   7.923     89
       3163.70   7.917     82
       3157.71   7.902    108
       3155.03   7.895     98
       3083.25   7.715    253
       3074.58   7.694    208
       1001.95   2.508   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,250M,powder

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