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网站主页CAS数据库列表 620-22-4更多图谱间甲基苯腈(620-22-4)红外图谱(IR1)

间甲基苯腈

产品名称 间甲基苯腈

CAS号620-22-4

分子式C8H7N

分子量117.15

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  • 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


  • 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
    


  • 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