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亚氨基二乙腈

产品名称 亚氨基二乙腈

CAS号628-87-5

分子式C4H5N3

分子量95.1

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  • Mass

    MS-IW-3711          
    iminodiacetonitrile
    C4H5N3              (Mass of molecular ion:     95)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          14.0       2.1
          15.0       3.1
          26.0       4.6
          27.0      22.8
          28.0      69.5
          29.0       5.1
          30.0       3.3
          38.0       8.8
          39.0      12.9
          40.0      49.9
          41.0      57.5
          42.0      22.9
          43.0       5.9
          52.0       1.3
          53.0      13.6
          54.0       1.5
          55.0      15.2
          66.0       3.9
          67.0      51.5
          68.0      72.3
          69.0      53.1
          70.0       2.4
          94.0     100.0
          95.0      51.4
          96.0       2.7
    

400 MHz at 60.C

parameter in CDCl3


  • 1H NMR 399.65 MHz
    C4 H5 N3 0.038 g : 0.5 ml CDCl3
    iminodiacetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.710 B 1.8 J(A,B)=6.6HZ

         Hz     ppm     Int.
    

       1489.50   3.728     23
       1486.21   3.719    962
       1483.03   3.711     47
       1479.61   3.703   1000
    


  • 1H NMR 300 MHz
    C4 H5 N3 0.038 g : 0.5 ml CDCl3 at 60C
    iminodiacetonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.710 D(B) 1.83 J(A,B) 6.6

         Hz     ppm     Int.
    

       1116.32   3.721    978
       1109.74   3.699   1000
        549.09   1.830     25
    

in D2O

in CDCl3





KBr disc



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