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620-22-4

m-Tolunitrile

Product Name m-Tolunitrile

CAS620-22-4

MFC8H7N

MW117.15

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  • 620-22-4_ms
    Mass 

    MS-NW-0882          
m-tolunitrile
C8H7N               (Mass of molecular ion:    117)


       Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          27.0       2.5
      28.0       1.1
      37.0       2.4
      38.0       4.2
      39.0      11.9
      40.0       1.2
      49.0       1.0
      50.0       5.2
      51.0       5.5
      52.0       2.0
      58.5       1.3
      61.0       2.6
      62.0       4.9
      63.0      10.8
      64.0       5.4
      65.0       2.7
      74.0       1.3
      75.0       3.1
      76.0       2.7
      77.0       1.4
      86.0       1.0
      87.0       1.7
      88.0       2.7
      89.0      21.3
      90.0      33.2
      91.0       5.2
     114.0       1.2
     115.0       1.5
     116.0      59.2
     117.0     100.0
     118.0       8.8

90 MHz in CDCl3

parameter in CDCl3

  • 620-22-4_1hnmr_2

    1H NMR 89.56 MHz
    C8 H7 N 0.04 ml : 0.5 ml CDCl3
    m-tolunitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A          7.47 to 7.34
      B             2.386
  

         Hz     ppm     Int.


        671.75   7.501     25
    669.50   7.476     49
    666.44   7.442    277
    665.69   7.433    270
    664.75   7.423    288
    661.56   7.387    503
    659.69   7.366    114
    658.81   7.357    150
    655.63   7.321     56
    654.19   7.305     29
    653.69   7.299     30
    650.88   7.268     36
    213.75   2.387   1000

  • 620-22-4_1hnmr

    1H NMR 300 MHz
    C8 H7 N 5.0 mol% in CCl4
    m-tolunitrile
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         7.345
      D(B)         7.313
      D(C)         7.393
      D(D)         7.409
       J(A,B)          7.85
       J(A,C)          1.10
       J(A,D)          1.82
       J(B,C)          7.60
       J(B,D)          0.59
       J(C,D)          1.64
     
      D(E)         2.39
     
     YAMAMOTO,O. ET AL. ANAL.CHEM. 44, 1794 (1972)
     SMALL LONG RANGE COUPLINGS EXIST BETWEEN CH3(E) AND AROMATIC PROTONS
  

         Hz     ppm     Int.


       2223.49   7.412    149
   2222.55   7.408    125
   2221.61   7.405    147
   2216.86   7.390     60
   2214.93   7.383     93
   2213.28   7.378     55
   2210.60   7.369     16
   2208.67   7.362     32
   2206.84   7.356     28
   2204.95   7.350     12
   2202.79   7.343    102
   2201.14   7.337    124
   2199.54   7.332    132
   2198.51   7.328     99
   2193.05   7.310     51
   2192.06   7.307     63
   2185.19   7.284     16
   2184.34   7.281     16
    717.02   2.390   1000

in CDCl3

liquid film

4880 A,200 M,liquid

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