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网站主页CAS数据库列表 38261-81-3更多图谱(S)-2-甲基丁基对甲苯磺酸酯(38261-81-3)核磁图(13CNMR)

(S)-2-甲基丁基对甲苯磺酸酯

产品名称 (S)-2-甲基丁基对甲苯磺酸酯

CAS号38261-81-3

分子式C12H18O3S

分子量242.33


  • Mass

    MS-IW-8206          
    (S)-(+)-2-methylbutyl p-toluenesulfonate
    C12H18O3S           (Mass of molecular ion:    242)
    

       Source Temperature: 180 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       3.1
          28.0       1.5
          29.0       7.1
          39.0       7.2
          41.0      10.6
          42.0       9.8
          43.0       6.0
          51.0       1.8
          53.0       1.7
          55.0      25.2
          56.0       2.6
          57.0       5.1
          63.0       2.6
          65.0      15.2
          69.0       1.9
          70.0     100.0
          71.0       9.6
          77.0       1.8
          79.0       1.3
          89.0       3.6
          90.0       2.5
          91.0      63.5
          92.0      14.9
          93.0       2.2
         107.0       4.3
         108.0       3.4
         139.0       2.3
         155.0      71.9
         156.0      10.9
         157.0      11.0
         158.0       1.1
         172.0       6.1
         173.0      26.7
         174.0       2.5
         175.0       1.3
         185.0       1.2
         212.0       2.1
         242.0       2.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H18 O3 S 0.05 ml : 0.5 ml CDCl3
    (S)-(+)-2-methylbutyl p-toluenesulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.787 B 7.355 C *1 3.878 D *1 3.798 E 2.445 F 1.701 G *2 1.385 J *2 1.141 K 0.875 L 0.825

         Hz     ppm     Int.
    

       3116.46   7.798    336
       3114.62   7.794    123
       3109.74   7.782    140
       3108.03   7.777    383
       2942.50   7.363    268
       2941.89   7.362    287
       2933.96   7.342    274
       1559.20   3.902    100
       1553.34   3.887    106
       1549.80   3.878    211
       1543.95   3.864    211
       1533.94   3.839    206
       1527.59   3.823    211
       1524.54   3.815    106
       1518.19   3.799    106
        977.42   2.446   1000
        690.80   1.729     41
        684.45   1.713     66
        677.73   1.696     68
        671.02   1.680     47
        568.24   1.422     43
        562.50   1.408     56
        560.79   1.404     50
        554.93   1.389     86
        548.95   1.374     60
        547.24   1.370     69
        541.50   1.355     55
        471.31   1.180     63
        463.87   1.161     95
        457.52   1.145     67
        456.42   1.143     76
        450.07   1.127     77
        448.36   1.122     46
        442.63   1.108     51
        357.67   0.895     32
        353.39   0.885    855
        351.07   0.879     64
        346.56   0.868    836
        337.28   0.844    414
        329.83   0.826    819
        322.39   0.807    348
    

in CDCl3



liquid film