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544-13-8

戊二腈(544-13-8)質(zhì)譜(MS)

產(chǎn)品名稱:戊二腈

CAS:544-13-8

分子式:C5H6N2

分子量: 94.11

InChI:InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2

InChIKey: ZTOMUSMDRMJOTH-UHFFFAOYSA-N

Smiles:C(#N)CCCC#N

  • 圖譜
    Mass 

    MS-NW-4216          
glutaronitrile
C5H6N2              (Mass of molecular ion:     94)


       Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          15.0       1.5
      26.0       6.8
      27.0      19.4
      28.0      27.3
      37.0       3.4
      38.0       4.6
      39.0       8.1
      40.0      10.8
      41.0     100.0
      42.0       3.5
      51.0       4.1
      52.0       9.9
      53.0       2.0
      54.0      97.2
      55.0       3.4
      63.0       1.4
      64.0       2.4
      65.0       1.1
      66.0       4.8

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H6 N2 0.02 ml : 0.5 ml CDCl3
    glutaronitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.561
      B             2.061
  

         Hz     ppm     Int.


        237.81   2.656    137
    236.63   2.643    166
    235.69   2.632     86
    232.00   2.591     82
    229.75   2.566   1000
    223.75   2.499    308
    222.94   2.490    247
    222.13   2.481    118
    190.69   2.130    177
    189.81   2.120    171
    183.81   2.053    204
    183.06   2.044    132
    182.50   2.038    121
    176.94   1.976     98
    175.75   1.963    107

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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