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Bronopol

CAS52-51-7

MFC3H6BrNO4

MW199.99

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  • Mass

    MS-NW-6821          
    2-bromo-2-nitro-1,3-propanediol
    C3H6BrNO4           (Mass of molecular ion:    199)
    

       Source Temperature: 280 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          12.0       1.1
          13.0       1.3
          14.0       4.6
          15.0      17.4
          16.0       1.0
          17.0       5.0
          18.0      21.5
          19.0      18.6
          25.0       2.3
          26.0      20.2
          27.0      63.0
          28.0      22.8
          29.0      81.5
          30.0      59.8
          31.0     100.0
          32.0       1.2
          38.0       2.2
          39.0       3.9
          40.0       3.0
          41.0       2.4
          42.0      14.3
          43.0      53.9
          44.0      24.1
          45.0       7.7
          46.0       5.0
          47.0       2.6
          48.0       1.7
          53.0       1.6
          54.0       8.2
          55.0      11.3
          56.0       6.0
          57.0       5.4
          58.0       1.5
          71.0       1.8
          72.0      13.4
          73.0       3.1
          74.0       1.1
          79.0       6.0
          80.0      10.2
          81.0       6.1
          82.0       9.6
          90.0       4.7
          93.0       5.6
          94.0       1.3
          95.0       5.0
         102.0       2.9
         104.0       1.6
         105.0      54.2
         106.0       5.0
         107.0      76.2
         108.0       4.1
         109.0      26.8
         111.0       1.2
         121.0       2.6
         122.0      10.1
         123.0      34.3
         124.0      10.2
         125.0      31.5
         134.0       4.7
         135.0      39.1
         136.0       6.0
         137.0      37.8
         138.0       1.5
         139.0       1.3
         141.0       1.1
         151.0      13.9
         152.0       4.1
         153.0      13.7
         154.0       4.2
         169.0      22.7
         171.0      22.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C3 H6 Br N O4 0.037 g : 0.5 ml DMSO-d6
    2-bromo-2-nitro-1,3-propanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.97 B *1 4.094 C *1 4.023

         Hz     ppm     Int.
    

       2392.46   5.987    472
       2386.35   5.972   1000
       2380.37   5.957    492
       1647.71   4.123    333
       1641.72   4.108    337
       1635.38   4.093    694
       1629.27   4.077    671
       1615.36   4.042    669
       1609.13   4.027    675
       1602.91   4.011    341
       1596.80   3.996    332
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder