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3034-38-6

4-Nitroimidazole

Product Name 4-Nitroimidazole

CAS3034-38-6

MFC3H3N3O2

MW113.07

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  • 3034-38-6_ms_1
    Mass 

    MS-NW-6756          
4-nitroimidazole
C3H3N3O2            (Mass of molecular ion:    113)


       Source Temperature: 160 °C
   Sample Temperature: 160 °C
   Direct, 75 eV


          13.0       1.0
      18.0       2.8
      26.0       1.5
      27.0       8.9
      28.0     100.0
      29.0       4.1
      30.0      23.1
      38.0       8.2
      39.0      17.4
      40.0      83.5
      41.0       3.4
      42.0       2.7
      43.0       1.3
      46.0       1.9
      53.0       4.1
      54.0       1.9
      55.0      22.5
      56.0       2.0
      66.0       4.4
      67.0      23.6
      68.0       1.2
      69.0       3.3
      70.0       2.9
      83.0       4.4
      97.0       5.8
     113.0      72.5
     114.0       3.8

400 MHz in DMSO-d6

90 MHz in CDCl3

  • 3034-38-6_1hnmr_2

    1H NMR 399.65 MHz
    C3 H3 N3 O2 0.038 g : 0.5 ml DMSO-d6
    4-nitroimidazole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.297
      B             7.851
  

         Hz     ppm     Int.


       3316.77   8.300    938
   3315.55   8.297   1000
   3138.67   7.854    638
   3137.57   7.851    656

  • 3034-38-6_1hnmr_0

    1H NMR 89.56 MHz
    C3 H3 N3 O2 0.045 g : 0.5 ml DMSO-d6
    4-nitroimidazole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            13.
      B             8.336
      C             7.878
  

         Hz     ppm     Int.


       1191.31  13.302     34
    750.39   8.379     47
    747.07   8.342    922
    745.70   8.327   1000
    740.92   8.273     41
    740.04   8.264     33
    739.36   8.256     33
    738.38   8.245     31
    738.18   8.243     31
    737.50   8.235     32
    737.11   8.231     27
    735.84   8.217     27
    712.70   7.958     28
    705.86   7.882    705
    704.59   7.868    711
    700.20   7.819     55
    697.07   7.784     35
    696.19   7.774     34

in DMSO-d6

  • 3034-38-6_13cnmr_0

KBr disc

  • 3034-38-6_ir1_2

nujol mull

  • 3034-38-6_ir2_1

4880 A,200 M,powder

  • 3034-38-6_raman_0

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