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网站主页CAS数据库列表 3034-38-6更多图谱4-硝基咪唑(3034-38-6)Raman光谱

4-硝基咪唑

产品名称 4-硝基咪唑

CAS号3034-38-6

分子式C3H3N3O2

分子量113.07

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  • 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


  • 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
    


  • 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



KBr disc



nujol mull



4880 A,200 M,powder