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629-08-3

3-PHENYLPROPIONITRILE

Product Name 3-PHENYLPROPIONITRILE

CAS629-08-3

MFC7H13N

MW111.18

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  • 629-08-3_ms
    Mass

    MS-IW-8363          
    heptanenitrile
    C7H13N              (Mass of molecular ion:    111)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.0
          18.0       1.2
          26.0       1.9
          27.0      20.6
          28.0       6.7
          29.0      22.5
          30.0       1.7
          38.0       1.3
          39.0      17.8
          40.0       3.6
          41.0      87.3
          42.0      12.0
          43.0      60.2
          44.0       2.5
          51.0       1.8
          52.0       2.1
          53.0       4.5
          54.0      55.3
          55.0      50.2
          56.0       8.2
          57.0      11.2
          66.0       1.6
          67.0       3.2
          68.0      23.1
          69.0      14.7
          70.0       2.2
          71.0       5.2
          79.0       2.2
          80.0       1.2
          81.0       1.7
          82.0     100.0
          83.0      59.4
          84.0       4.4
          93.0       1.0
          96.0      14.3
          97.0       1.1
         110.0       7.8
         112.0       2.7
    

400 MHz in CDCl3

  • 629-08-3_1hnmr

    1H NMR 399.65 MHz
    C7 H13 N 0.05 ml : 0.5 ml CDCl3
    heptanenitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.341 B 1.651 C 1.455 D 1.32 E 0.903

         Hz     ppm     Int.
    

        942.99   2.360    455
        940.55   2.354     35
        935.91   2.342    943
        928.83   2.325    515
        676.15   1.692     82
        668.70   1.674    231
        666.99   1.669     64
        666.14   1.667     64
        661.25   1.655    295
        653.93   1.637    265
        646.61   1.618    125
        595.70   1.491     64
        590.33   1.478     76
        588.38   1.473    135
        587.04   1.469    122
        585.69   1.466    104
        581.30   1.455    162
        580.69   1.453    161
        579.59   1.451    150
        575.68   1.441    101
        573.12   1.435    144
        567.38   1.420     39
        565.92   1.417     75
        546.26   1.367     33
        542.48   1.358     56
        540.04   1.352     48
        537.11   1.344    116
        536.74   1.344    115
        534.91   1.339    141
        533.20   1.335    239
        530.88   1.329    276
        529.42   1.325    478
        526.00   1.317    417
        523.44   1.310    258
        521.97   1.307    311
        518.43   1.298    125
        516.85   1.294    121
        513.55   1.285     68
        511.47   1.280     42
        508.67   1.273     35
        368.41   0.922    331
        361.33   0.905   1000
        354.25   0.887    374
    

in CDCl3

  • 629-08-3_13cnmr

liquid film

  • 629-08-3_ir1