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822-36-6

4-甲基咪唑(822-36-6)質(zhì)譜(MS)

產(chǎn)品名稱:4-甲基咪唑

CAS:822-36-6

分子式:C4H6N2

分子量: 82.1

InChI:InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)

InChIKey: XLSZMDLNRCVEIJ-UHFFFAOYSA-N

Smiles:C1NC(C)=CN=1

  • 圖譜
    Mass 

    MS-NW-4976          
4-methylimidazole
C4H6N2              (Mass of molecular ion:     82)


       Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          15.0       1.7
      18.0       1.7
      25.0       1.0
      26.0       6.9
      27.0      10.0
      28.0      35.1
      29.0       2.5
      30.0       1.7
      32.0       1.1
      38.0       1.8
      39.0       3.2
      40.0       6.0
      41.0       8.6
      42.0       7.4
      51.0       2.3
      52.0       5.8
      53.0       3.5
      54.0      49.7
      55.0      11.1
      67.0       2.0
      68.0       2.2
      80.0       1.5
      81.0      63.4
      82.0     100.0
      83.0       5.8
      95.0       2.7
      96.0       2.7
     109.0       1.1

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C4 H6 N2 0.036 g : 0.5 ml CDCl3
    4-methylimidazole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            10.86
      B             7.548
      C             6.761
      D             2.261
     
     J(B,C)=J(C,D)=1.0HZ
  

         Hz     ppm     Int.


        972.88  10.863     98
    676.69   7.556    238
    675.50   7.543    261
    607.75   6.786     33
    606.75   6.775    134
    605.69   6.763    203
    604.63   6.752    150
    603.75   6.742     50
    203.00   2.267    948
    202.00   2.256   1000
    198.56   2.218     30

in CDCl3

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KBr disc

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liquid film

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nujol mull

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