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网站主页CAS数据库列表 136997-71-2更多图谱1-二甲基氨基甲酰-4-(2-硫代乙基)吡啶内盐(136997-71-2)红外图谱(IR1)

1-二甲基氨基甲酰-4-(2-硫代乙基)吡啶内盐

产品名称 1-二甲基氨基甲酰-4-(2-硫代乙基)吡啶内盐

CAS号136997-71-2

分子式C10H14N2O4S

分子量258.29

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  • Mass

    MS-IW-9843          
    2-(1-dimethylcarbamoyl-4-pyridinio)ethanesulfonate
    C10H14N2O4S         (Mass of molecular ion:    258)
    

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

          15.0       9.3
          16.0       2.0
          18.0      10.7
          27.0       2.3
          28.0      14.3
          29.0       1.1
          30.0       1.6
          32.0       2.0
          39.0       2.9
          40.0       2.7
          41.0       3.4
          42.0      16.4
          43.0       7.5
          44.0      85.3
          45.0      17.0
          48.0      22.0
          50.0       1.9
          51.0       2.5
          52.0       1.8
          56.0       3.6
          57.0       1.1
          58.0       4.7
          64.0      50.7
          65.0       2.3
          66.0       3.4
          72.0     100.0
          73.0       5.1
          77.0       1.7
          78.0       2.6
          79.0       1.0
          92.0       2.0
          93.0       8.1
         104.0       2.0
         105.0       4.7
         106.0       5.8
         116.0      25.0
         117.0       2.0
         198.0       3.0
    

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C10 H14 N2 O4 S 0.041 g : 0.5 ml D2O
    2-(1-dimethylcarbamoyl-4-pyridinio)ethanesulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.002 B 8.205 C 3.492 D 3.428 E *1 3.256 F *1 2.983

         Hz     ppm     Int.
    

       3601.20   9.011    494
       3599.61   9.007    209
       3595.83   8.998    213
       3594.36   8.994    493
       3282.47   8.214    418
       3275.76   8.197    387
       1406.01   3.519     64
       1403.93   3.513     75
       1399.29   3.502    118
       1397.09   3.496    251
       1394.17   3.489     55
       1390.63   3.480    243
       1386.84   3.471     31
       1375.98   3.443    266
       1375.00   3.441    239
       1369.38   3.427    437
       1366.70   3.420    135
       1362.30   3.409    143
       1360.23   3.404     98
       1308.35   3.274     40
       1301.27   3.257    957
       1292.97   3.236     30
       1291.63   3.232     33
       1200.81   3.005     31
       1192.38   2.984   1000
    

KBr disc



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