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51436-99-8

2-氟-4-溴-甲苯(51436-99-8)Raman光谱

产品名称:2-氟-4-溴-甲苯

CAS:51436-99-8

分子式:C7H6BrF

分子量: 189.02

InChI:InChI=1S/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

InChIKey: YZFVUQSAJMLFOZ-UHFFFAOYSA-N

Smiles:C1(C)=CC=C(Br)C=C1F

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    Mass

    MS-IW-7546          
    4-bromo-2-fluorotoluene
    C7H6BrF             (Mass of molecular ion:    188)
    

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

          31.0       1.6
          38.0       1.4
          39.0       3.5
          43.0       1.3
          44.0       6.3
          50.0       3.3
          51.0       2.5
          54.0       3.3
          57.0       6.8
          59.0       1.7
          61.0       1.9
          62.0       3.6
          63.0       5.7
          68.0       1.3
          74.0       1.8
          75.0       1.2
          80.0       1.1
          81.0       5.1
          82.0       1.8
          83.0      16.0
          84.0       3.1
          85.0       2.8
          86.0       1.0
          89.0       3.0
          94.0       2.5
          95.0       1.9
         107.0      13.7
         108.0      15.5
         109.0     100.0
         110.0       8.1
         187.0      15.2
         188.0      73.2
         189.0      20.6
         190.0      71.2
         191.0       5.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 Br F 0.05 ml : 0.5 ml CDCl3
    4-bromo-2-fluorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.28 B 7.156 C 2.339

         Hz     ppm     Int.
    

       2917.72   7.301    160
       2915.77   7.296    280
       2913.45   7.291    212
       2913.09   7.290    207
       2908.57   7.278    181
       2908.20   7.277    179
       2906.01   7.272    482
       2903.93   7.267    189
       2866.58   7.173    151
       2866.21   7.172    152
       2865.84   7.171    139
       2858.89   7.154    222
       2858.28   7.152    235
       2855.96   7.147     46
       2852.66   7.138     37
       2851.93   7.137     41
       2850.46   7.133    100
       2849.73   7.131    107
        936.04   2.343    852
        933.96   2.337   1000
    

in CDCl3

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liquid film

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