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3084-53-5

三甲基溴化锍(3084-53-5)核磁图(1HNMR)

产品名称:三甲基溴化锍

CAS:3084-53-5

分子式:C3H9S.Br

分子量: 157.07

InChI:InChI=1S/C3H9S.BrH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1

InChIKey: GOTIICCWNAPLMN-UHFFFAOYSA-M

Smiles:[S+](C)(C)C.[Br-]

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    Mass

    MS-KW-0545          
    trimethylsulfonium bromide 
    C3H9BrS             (Mass of molecular ion:    156)
    

       Source Temperature: 200 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          13.0       1.3
          14.0       3.5
          15.0      59.3
          18.0       1.4
          27.0      17.8
          28.0       1.9
          34.0       1.3
          35.0      33.8
          37.0       1.5
          44.0       3.6
          45.0      36.5
          46.0      38.3
          47.0      96.2
          48.0       4.5
          49.0       4.2
          57.0       2.5
          58.0       3.3
          59.0       3.1
          61.0      36.6
          62.0     100.0
          63.0       5.0
          64.0       4.7
          79.0       4.6
          80.0       1.5
          81.0       4.6
          82.0       1.5
          91.0       6.2
          92.0       3.5
          93.0      18.6
          94.0      97.8
          95.0      13.3
          96.0      92.0
          97.0       1.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C3H9BrS 0.038 g : 0.5 ml DMSO-d6
    trimethylsulfonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.991

         Hz     ppm     Int.
    

       3524.17   8.816      1
       1266.61   3.169      5
       1195.56   2.991   1000
       1122.08   2.807      5
        820.81   2.054      2
    

DMSO-d6

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KBr disk

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Nujol

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