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1585-07-5

对溴乙基苯(1585-07-5)质谱(MS)

产品名称:对溴乙基苯

CAS:1585-07-5

分子式:C8H9Br

分子量: 185.06

InChI:InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3

InChIKey: URFPRAHGGBYNPW-UHFFFAOYSA-N

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

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    Mass

    MS-IW-9451          
    1-bromo-4-ethylbenzene
    C8H9Br              (Mass of molecular ion:    184)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       6.5
          37.0       1.4
          38.0       3.9
          39.0       9.6
          40.0       1.0
          43.0       1.0
          45.0       1.2
          49.0       1.4
          50.0      14.0
          51.0      30.2
          51.5       1.9
          52.0       8.4
          53.0       1.9
          61.0       1.6
          62.0       4.4
          63.0      11.0
          64.0       2.9
          65.0       2.0
          73.0       1.1
          74.0       5.4
          75.0       7.0
          76.0       5.8
          77.0      24.1
          78.0       7.2
          79.0      10.3
          87.0       1.1
          89.0      15.8
          90.0      26.5
          91.0       3.1
          92.0       1.3
         101.0       1.1
         102.0       4.5
         103.0      12.4
         104.0      13.0
         105.0      82.3
         106.0       7.3
         107.0       2.4
         169.0     100.0
         170.0       7.9
         171.0      97.3
         172.0       7.5
         183.0       1.5
         184.0      55.0
         185.0       6.0
         186.0      52.9
         187.0       4.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H9 Br 0.05 ml : 0.5 ml CDCl3
    1-bromo-4-ethylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.364 B 7.031 C 2.563 D 1.189

         Hz     ppm     Int.
    

       2949.83   7.382     80
       2947.39   7.375    440
       2945.43   7.371    161
       2940.80   7.359    182
       2938.96   7.354    472
       2936.28   7.348     76
       2816.53   7.048     84
       2814.09   7.042    403
       2812.01   7.037    151
       2807.50   7.025    151
       2805.42   7.020    348
       2802.98   7.014     58
       1036.62   2.594    120
       1029.05   2.575    329
       1026.61   2.569     54
       1021.36   2.556    334
       1013.79   2.537    127
        482.79   1.209    608
        480.35   1.202     43
        475.22   1.190   1000
        467.53   1.170    582
    

in CDCl3

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liquid film

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