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136997-71-2

1-DIMETHYLCARBAMOYL-4-(2-SULFOETHYL)PYRIDINIUM BETAINE

Product Name 1-DIMETHYLCARBAMOYL-4-(2-SULFOETHYL)PYRIDINIUM BETAINE

CAS136997-71-2

MFC10H14N2O4S

MW258.29

More

  • 136997-71-2_ms_1
    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

  • 136997-71-2_1hnmr_0

    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

  • 136997-71-2_ir1_2

nujol mull

  • 136997-71-2_ir2_1