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网站主页CAS数据库列表 3708-04-1更多图谱2-甲基磺酰苯乙酮(3708-04-1)核磁图(13CNMR)

2-甲基磺酰苯乙酮

产品名称 2-甲基磺酰苯乙酮

CAS号3708-04-1

分子式C9H10O3S

分子量198.24

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  • Mass

    MS-NW-2358          
    alpha-mesylacetophenone
    C9H10O3S            (Mass of molecular ion:    198)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       2.9
          17.0       1.7
          18.0       8.2
          27.0       1.0
          28.0       3.2
          32.0       1.9
          39.0       2.9
          44.0       1.4
          50.0       3.2
          51.0      10.4
          63.0       1.5
          65.0       4.7
          76.0       1.4
          77.0      31.9
          78.0       3.2
          79.0       2.3
          89.0       1.0
          91.0       8.1
         105.0     100.0
         106.0       7.4
         198.0       4.7
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H10 O3 S 0.041 g : 0.5 ml CDCl3
    alpha-mesylacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.995 B 7.647 C 7.518 D 4.627 E 3.141

         Hz     ppm     Int.
    

       3201.90   8.012     38
       3200.07   8.008    196
       3199.46   8.006    156
       3198.85   8.005    242
       3197.14   8.000     94
       3193.60   7.991     74
       3191.65   7.987    258
       3190.31   7.983    235
       3065.92   7.672     39
       3064.58   7.669     72
       3063.35   7.666     45
       3058.96   7.655     49
       3057.13   7.650    145
       3055.42   7.646     60
       3051.03   7.635     68
       3049.80   7.632    115
       3048.46   7.628     64
       3013.18   7.540     48
       3011.47   7.536    196
       3009.89   7.532     90
       3003.91   7.517    213
       3003.42   7.516    255
       3002.20   7.513     93
       2997.80   7.502     60
       2995.97   7.497    128
       2995.48   7.496    103
       2994.38   7.493     38
       1849.49   4.628    493
       1848.63   4.626    491
       1256.10   3.144    534
       1255.25   3.141   1000
       1254.39   3.139    658
    


  • 1H NMR 89.56 MHz
    C9 H10 O3 S 0.042 g : 0.5 ml CDCl3
    alpha-mesylacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.99 B 7.79 to 7.37 C 4.62 D 3.14

         Hz     ppm     Int.
    

        721.06   8.052    139
        719.50   8.034    154
        717.81   8.015     61
        717.25   8.009     60
        715.44   7.989     57
        713.25   7.964    171
        711.31   7.943    222
        687.00   7.671     64
        686.06   7.661     84
        683.44   7.632     45
        681.88   7.614    114
        680.06   7.594    193
        679.31   7.585    209
        678.75   7.579    237
        677.00   7.560     96
        674.56   7.532     69
        672.94   7.514     76
        671.38   7.497    162
        669.88   7.480     34
        665.38   7.430     51
        662.63   7.399     40
        413.88   4.622    467
        413.06   4.613    451
        281.94   3.149    542
        281.13   3.140   1000
        280.31   3.130    488
    

in CDCl3



KBr disc



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