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696-23-1

2-甲基-4-硝基咪唑(696-23-1)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲基-4-硝基咪唑

CAS:696-23-1

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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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