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873-74-5

对氨基苯腈(873-74-5)质谱(MS)

产品名称:对氨基苯腈

CAS:873-74-5

分子式:C7H6N2

分子量: 118.14

InChI:InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2

InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N

Smiles:C(#N)C1=CC=C(N)C=C1

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    Mass

    MS-NW-1974          
    p-aminobenzonitrile
    C7H6N2              (Mass of molecular ion:    118)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          28.0       3.5
          37.0       2.3
          38.0       2.3
          39.0       3.7
          40.0       1.4
          41.0       4.3
          50.0       1.8
          51.0       1.6
          52.0       3.9
          54.0       1.0
          59.0       2.1
          62.0       2.0
          63.0       6.4
          64.0       9.1
          65.0       3.4
          66.0       1.1
          67.0       1.1
          75.0       1.1
          78.0       1.2
          90.0       6.8
          91.0      25.3
          92.0       2.4
         117.0       4.6
         118.0     100.0
         119.0       8.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H6 N2 0.041 g : 0.5 ml CDCl3
    p-aminobenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.38 B 6.65 C 4.3

         Hz     ppm     Int.
    

        668.50   7.465     86
        666.13   7.438    777
        665.44   7.431    268
        664.06   7.415    242
        661.81   7.390     26
        659.38   7.363    255
        657.25   7.339   1000
        654.94   7.313    136
        601.44   6.716    115
        599.13   6.690    974
        597.00   6.666    269
        594.81   6.642     25
        592.31   6.614    217
        590.25   6.591    754
        587.88   6.565     87
        380.75   4.252     83
    

in CDCl3

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KBr disc

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4880 A,200 M,powder

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