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54932-72-8

5-溴-2-氯甲苯(54932-72-8)质谱(MS)

产品名称:5-溴-2-氯甲苯

CAS:54932-72-8

分子式:C7H6BrCl

分子量: 205.48

InChI:InChI=1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChIKey: OZFQMHJKAODEON-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C(Br)C=C1C

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    Mass

    MS-NW-6114          
    5-bromo-2-chlorotoluene
    C7H6BrCl            (Mass of molecular ion:    204)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       1.4
          36.0       1.4
          37.0       3.7
          38.0       5.5
          39.0      13.3
          40.0       1.4
          43.0       5.5
          43.5       1.8
          44.0      14.3
          44.5       3.3
          45.0       1.1
          49.0       2.8
          50.0       9.0
          51.0       7.4
          52.0       1.0
          60.0       1.3
          61.0       6.4
          62.0      15.8
          62.5       2.2
          63.0      27.6
          64.0       5.0
          65.0       3.6
          73.0       5.7
          74.0       5.2
          75.0       6.3
          76.0       1.0
          82.0       1.0
          84.0       6.5
          85.0       7.2
          86.0       4.7
          87.0       4.3
          88.0       2.5
          89.0      47.3
          90.0      19.3
          91.0       7.9
          97.0       1.6
          99.0       7.3
         101.0       2.4
         102.0       1.7
         103.0       2.0
         111.0       3.2
         113.0       1.0
         117.0       1.2
         119.0       1.3
         123.0       2.1
         124.0       4.8
         125.0      69.2
         126.0       7.1
         127.0      22.9
         128.0       2.1
         168.0       2.6
         169.0      32.9
         170.0       9.3
         171.0      31.5
         172.0       6.8
         203.0       4.5
         204.0      77.9
         205.0      11.7
         206.0     100.0
         207.0       9.4
         208.0      25.3
         209.0       2.4
         238.0       3.9
         240.0       1.3
         250.0       1.1
         252.0       1.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 Br Cl 0.05 ml : 0.5 ml CDCl3
    5-bromo-2-chlorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.328 B 7.207 C 7.153 D 2.311

         Hz     ppm     Int.
    

       2929.93   7.332    204
       2929.57   7.331    212
       2927.61   7.326    228
       2927.25   7.325    228
       2887.57   7.226     96
       2886.96   7.224     98
       2885.13   7.220     87
       2884.64   7.218     82
       2879.03   7.204    181
       2878.54   7.203    180
       2876.71   7.199    175
       2876.10   7.197    176
       2861.82   7.161    389
       2853.27   7.140    204
        923.58   2.311   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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