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585-71-7

(1-溴乙基)苯(585-71-7)质谱(MS)

产品名称:(1-溴乙基)苯

CAS:585-71-7

分子式:C8H9Br

分子量: 185.06

InChI:InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey: CRRUGYDDEMGVDY-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8350          
    (1-bromoethyl)benzene
    C8H9Br              (Mass of molecular ion:    184)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          27.0       3.5
          38.0       1.0
          39.0       4.0
          50.0       4.0
          51.0      10.6
          52.0       3.2
          62.0       1.1
          63.0       2.8
          65.0       1.1
          74.0       1.5
          75.0       1.1
          76.0       1.4
          77.0      14.2
          78.0       8.1
          79.0      14.3
          80.0       1.0
          89.0       1.3
          91.0       1.7
         102.0       1.7
         103.0      11.9
         104.0      13.6
         105.0     100.0
         106.0       9.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H9 Br 0.05 ml : 0.5 ml CDCl3
    (1-bromoethyl)benzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.38 to 7.25 B 5.170 C 2.001

         Hz     ppm     Int.
    

        669.63   7.477     62
        667.69   7.456     73
        665.69   7.433    107
        664.25   7.417    131
        663.13   7.405    142
        661.06   7.382    274
        658.81   7.357    403
        657.69   7.344    202
        656.56   7.331    277
        655.00   7.314    391
        654.25   7.306    376
        652.75   7.289    317
        651.75   7.278    222
        650.31   7.262    266
        649.38   7.251    352
        648.19   7.238    152
        647.00   7.225    294
        645.88   7.212    106
        644.56   7.197     68
        643.81   7.189     66
        473.50   5.287     55
        466.50   5.209    162
        459.63   5.133    168
        452.69   5.055     60
        182.69   2.040   1000
        175.75   1.963    950
    

in CDCl3

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CCl4 solution

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liquid film

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