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Back ChemicalBook Home>CAS DataBase List>3544-25-0More Spectrum> 4-Aminophenylacetonitrile(3544-25-0) IR1

4-Aminophenylacetonitrile(3544-25-0) IR1

Molecular FormulaC8H8N2

Molecular Weight132.16

InChIInChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2

InChIKey YCWRFIYBUQBHJI-UHFFFAOYSA-N

SmilesC1(CC#N)=CC=C(N)C=C1


  • Mass

    MS-NW-7093          
    (p-aminophenyl)acetonitrile
    C8H8N2              (Mass of molecular ion:    132)
    

       Source Temperature: 270 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          26.0       1.0
          27.0       2.8
          28.0       5.7
          37.0       1.5
          38.0       2.7
          39.0       6.3
          40.0       1.5
          41.0       2.8
          42.0       1.1
          50.0       4.2
          51.0       8.7
          52.0       7.8
          52.5       1.0
          53.0       3.0
          54.0       2.1
          61.0       1.1
          62.0       2.3
          63.0       4.5
          64.0       2.5
          65.0       5.7
          66.0       5.9
          74.0       1.1
          75.0       2.2
          76.0       4.1
          77.0      15.1
          78.0       8.2
          79.0       2.8
          80.0       1.5
          88.0       1.0
          89.0       1.4
          90.0       1.2
          91.0       1.8
          93.0       1.4
         102.0       1.9
         103.0       2.0
         104.0      22.5
         105.0      11.2
         106.0      12.0
         107.0       1.1
         115.0       1.5
         116.0       2.0
         129.0       1.0
         131.0     100.0
         132.0      93.8
         133.0       8.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H8 N2 0.040 g : 0.5 ml CDCl3
    (p-aminophenyl)acetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.05 B 6.645 C 3.72 D 3.588

         Hz     ppm     Int.
    

        640.00   7.147     40
        639.44   7.140     49
        636.81   7.111    334
        636.19   7.104    249
        634.63   7.087    126
        630.44   7.040    165
        628.69   7.020    396
        628.13   7.014    481
        626.31   6.994     71
        625.63   6.986     78
        625.00   6.979     51
        601.06   6.712     99
        598.56   6.684    639
        596.38   6.660    184
        594.38   6.637     38
        592.06   6.611    159
        589.94   6.588    392
        587.31   6.558     49
        333.63   3.726    102
        321.44   3.590   1000
    

in CDCl3



KBr disc



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4-Aminophenylacetonitrile(3544-25-0) IR1 Atlas of Related Products

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