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4450-76-4

pentyl toluene-4-sulphonate

Product Name pentyl toluene-4-sulphonate

CAS4450-76-4

MFC12H18O3S

MW242.33

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  • 4450-76-4_ms_1
    Mass

    MS-IW-5296          
    pentyl p-toluenesulfonate
    C12H18O3S           (Mass of molecular ion:    242)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       5.9
          28.0       2.1
          29.0       9.4
          39.0      10.1
          40.0       1.4
          41.0      17.9
          42.0      20.1
          43.0      16.0
          49.0       1.3
          50.0       1.3
          51.0       3.3
          52.0       1.0
          53.0       1.5
          55.0      26.8
          56.0       1.8
          57.0       2.2
          62.0       1.0
          63.0       4.6
          64.0       1.5
          65.0      24.8
          66.0       1.5
          68.0       1.0
          69.0      11.6
          70.0      91.8
          71.0      11.3
          77.0       3.3
          79.0       2.7
          87.0       1.3
          89.0       5.9
          90.0       4.8
          91.0      99.4
          92.0      18.0
          93.0       2.7
         107.0       8.9
         108.0       7.1
         109.0       1.2
         139.0       1.7
         155.0      58.5
         156.0       5.8
         157.0       5.3
         172.0      24.2
         173.0     100.0
         174.0       9.7
         175.0       5.3
    

400 MHz in CDCl3

  • 4450-76-4_1hnmr_0

    1H NMR 399.65 MHz
    C12 H18 O3 S 0.04 ml : 0.5 ml CDCl3
    pentyl p-toluenesulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.785 B 7.351 C 4.018 D 2.441 E 1.633 F 1.28 G 1.25 J 0.845

         Hz     ppm     Int.
    

       3115.60   7.796    380
       3107.30   7.776    406
       2942.50   7.363    294
       2941.89   7.362    340
       2933.84   7.342    303
       2933.23   7.340    285
       1612.30   4.035    295
       1605.83   4.019    568
       1599.24   4.002    303
        975.83   2.442   1000
        666.75   1.669     38
        660.16   1.652    116
        652.95   1.634    171
        645.75   1.616    138
        639.04   1.599     52
        519.90   1.301     55
        518.43   1.298     51
        516.72   1.293     91
        511.11   1.279    204
        507.32   1.270    300
        503.78   1.261    292
        500.37   1.253    177
        496.70   1.243    107
        495.12   1.239     86
        490.11   1.227     51
        344.73   0.863    276
        341.55   0.855     89
        337.77   0.846    567
        330.44   0.827    208
    

in CDCl3

  • 4450-76-4_13cnmr_0

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