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Back ChemicalBook Home>CAS DataBase List>151-18-8More Spectrum> 3-Aminopropionitrile(151-18-8) IR1

3-Aminopropionitrile(151-18-8) IR1

Molecular FormulaC3H6N2

Molecular Weight70.09

InChIInChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2

InChIKey AGSPXMVUFBBBMO-UHFFFAOYSA-N

SmilesC(#N)CCN


  • Mass

    MS-IW-3444          
    3-aminopropionitrile
    C3H6N2              (Mass of molecular ion:     70)
    

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

          14.0       1.9
          15.0       6.2
          17.0       3.0
          18.0       2.0
          25.0       1.3
          26.0       6.9
          27.0       8.6
          28.0      71.1
          29.0       5.7
          30.0     100.0
          31.0       5.4
          32.0       3.5
          33.5       1.3
          34.0       1.3
          38.0       8.2
          39.0      10.4
          40.0      20.1
          41.0      25.9
          42.0      62.8
          43.0       4.4
          50.0       1.3
          51.0       6.9
          52.0       9.6
          53.0       4.3
          54.0       5.0
          66.0       3.1
          67.0       4.6
          68.0       1.3
          69.0       7.2
          70.0       4.5
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C3 H6 N2 0.04 ml : 0.5 ml CDCl3
    3-aminopropionitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.99 B 2.49 C 1.39

         Hz     ppm     Int.
    

        275.75   3.079    156
        274.81   3.069    179
        269.13   3.006    278
        268.44   2.998    470
        262.88   2.936    270
        262.25   2.929    312
        228.56   2.553    270
        227.88   2.545    295
        226.25   2.527     29
        222.31   2.483    421
        221.31   2.472    275
        216.00   2.412    157
        215.06   2.402    164
        124.25   1.388   1000
    

in CDCl3



KBr disc



liquid film



nujol mull



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