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696-23-1

2-甲基-4-硝基咪唑(696-23-1)Raman光谱

分子式:C4H5N3O2

分子量: 127.1

InChI:InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)

InChIKey: FFYTTYVSDVWNMY-UHFFFAOYSA-N

Smiles:C1(C)NC([N+]([O-])=O)=CN=1

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    Mass

    MS-NW-8096          
    2-methyl-5-nitroimidazole
    C4H5N3O2            (Mass of molecular ion:    127)
    

       Source Temperature: 190 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       7.4
          18.0       3.0
          26.0      11.4
          27.0      20.7
          28.0      40.9
          29.0       1.2
          30.0      11.5
          38.0       2.0
          39.0       3.5
          40.0      16.2
          41.0       6.8
          42.0      61.8
          43.0     100.0
          44.0       2.8
          51.0       3.9
          52.0      11.0
          53.0      12.4
          54.0      63.8
          55.0       5.1
          66.0       1.3
          67.0       1.0
          69.0      10.9
          70.0       6.9
          79.0       1.0
          80.0       2.9
          81.0      35.9
          82.0       2.0
          83.0       1.4
         111.0       2.6
         125.0       1.1
         127.0      72.9
         128.0       5.8
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H5 N3 O2 0.039 g : 0.5 ml DMSO-d6
    2-methyl-5-nitroimidazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.217 B 2.348

         Hz     ppm     Int.
    

       3283.94   8.218    340
        938.72   2.349   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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