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527-73-1

2-硝基咪唑(527-73-1)核磁图(1HNMR)

产品名称:2-硝基咪唑

CAS:527-73-1

分子式:C3H3N3O2

分子量: 113.07

InChI:InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)

InChIKey: YZEUHQHUFTYLPH-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6781          
    2-nitroimidazole
    C3H3N3O2            (Mass of molecular ion:    113)
    

       Source Temperature: 140 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          13.0       1.1
          17.0       1.0
          18.0       3.9
          26.0       2.7
          27.0       6.3
          28.0      44.4
          29.0       1.9
          30.0      40.8
          38.0       7.3
          39.0      17.2
          40.0     100.0
          41.0      12.6
          46.0       5.2
          53.0       3.4
          54.0       1.5
          56.0      28.4
          66.0       5.8
          67.0      18.0
          69.0       5.5
          83.0      48.6
          84.0       2.1
          97.0       8.8
         113.0      59.2
         114.0       2.9
    

parameter in DMSO-d6

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    1H NMR 300 MHz
    C3 H3 N3 O2 0.045 g : 0.5 ml DMSO-d6
    2-nitroimidazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.408

         Hz     ppm     Int.
    

       2222.40   7.408   1000
    

DMSO-d6

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KBr disc

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nujol mull

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