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17025-47-7

三溴甲基苯砜(17025-47-7)核磁图(13CNMR)

产品名称:三溴甲基苯砜

CAS:17025-47-7

分子式:C7H5Br3O2S

分子量: 392.89

InChI:InChI=1S/C7H5Br3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H

InChIKey: DWWMSEANWMWMCB-UHFFFAOYSA-N

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

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    Mass

    MS-NW-9365          
    phenyl tribromomethyl sulfone
    C7H5Br3O2S          (Mass of molecular ion:    390)
    

       Source Temperature: 180 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       1.2
          27.0       1.8
          38.0       1.3
          39.0       4.6
          45.0       1.5
          50.0      11.4
          51.0      39.2
          52.0       1.8
          53.0       2.3
          62.0       1.6
          63.0       3.4
          65.0       1.5
          69.0       1.2
          74.0       3.3
          75.0       2.5
          76.0       3.1
          77.0     100.0
          78.0       6.6
          81.0       1.4
          82.0       1.0
          89.0       6.4
          91.0       1.9
          93.0       1.9
          97.0       9.2
         109.0       1.0
         125.0      88.3
         126.0       6.6
         127.0       4.3
         141.0      63.0
         142.0       4.8
         143.0       3.2
         156.0       1.9
         158.0       1.9
         170.0       2.7
         172.0       4.2
         174.0       2.1
         247.0       1.6
         249.0      18.3
         251.0      47.4
         253.0      44.4
         255.0      14.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H5 Br3 O2 S 0.045 g : 0.5 ml CDCl3
    phenyl tribromomethyl sulfone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.258 B 7.807 C 7.645

         Hz     ppm     Int.
    

       3307.37   8.276    114
       3305.54   8.272    803
       3304.32   8.269    907
       3303.59   8.267    453
       3302.61   8.264    307
       3300.78   8.260     53
       3298.95   8.255    263
       3297.00   8.250   1000
       3295.65   8.247    876
       3129.39   7.831    137
       3128.17   7.828    260
       3126.95   7.825    147
       3122.31   7.813    176
       3120.61   7.809    555
       3119.02   7.805    202
       3114.38   7.793    224
       3113.16   7.790    400
       3111.94   7.787    212
       3064.58   7.669    129
       3062.87   7.664    695
       3061.28   7.660    286
       3055.30   7.645    813
       3054.69   7.644    945
       3048.95   7.630    211
       3047.12   7.625    511
       3045.53   7.621    120
    

in CDCl3

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KBr disc

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nujol mull

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