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网站主页CAS数据库列表 874-60-2更多图谱对甲基苯甲酰氯(874-60-2)核磁图(13CNMR)

对甲基苯甲酰氯

产品名称 对甲基苯甲酰氯

CAS号874-60-2

分子式C8H7ClO

分子量154.59

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  • Mass

    MS-NW-2941          
    p-toluoyl chloride
    C8H7ClO             (Mass of molecular ion:    154)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          38.0       1.7
          39.0       7.1
          41.0       1.9
          43.0       1.0
          45.0       1.9
          46.0       3.8
          50.0       3.2
          51.0       3.2
          59.0       1.0
          59.5       1.1
          61.0       1.0
          62.0       2.3
          63.0       6.0
          64.0       1.7
          65.0      13.8
          89.0       4.5
          90.0       2.4
          91.0      44.0
          92.0       3.6
         119.0     100.0
         120.0       8.8
         154.0       4.3
         156.0       1.4
    

parameter in CDCl3

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C8 H7 Cl O 5.0 mol% in CCl4
    p-toluoyl chloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.245 D(B) 7.947 J(A,A') 1.98 J(A,B) 8.11 J(A,B') 0.51 J(A',B) 0.51 J(A',B') 8.11 J(B,B') 1.97 D(C) 2.44 YAMAMOTO,0. ET AL. ANAL.CHEM. 44, 1794 (1972) SMALL LONG RANGE COUPLINGS EXIST BETWEEN CH3(E) AND AROMATIC PROTONS

         Hz     ppm     Int.
    

       2390.43   7.968     30
       2388.48   7.962    193
       2386.52   7.955     72
       2381.91   7.940     75
       2379.95   7.933    211
       2378.00   7.927     33
       2179.66   7.266     33
       2177.71   7.259    211
       2175.76   7.253     75
       2171.09   7.237     72
       2169.19   7.231    193
       2167.19   7.224     30
        731.99   2.440   1000
    


  • 1H NMR 89.56 MHz
    C8 H7 Cl O 0.05 ml : 0.5 ml CDCl3
    p-toluoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.962 B 7.277 C 2.425

         Hz     ppm     Int.
    

        720.06   8.040     32
        717.81   8.015    290
        716.13   7.997     99
        711.50   7.945     97
        709.50   7.923    388
        707.63   7.902     62
        657.75   7.345     39
        655.88   7.324    264
        655.25   7.317    302
        654.63   7.310    183
        653.88   7.302    111
        653.19   7.294     83
        649.06   7.248     84
        648.56   7.242     96
        647.88   7.235    154
        647.25   7.228    243
        646.56   7.220    203
        644.63   7.198     31
        217.31   2.427   1000
    

in CDCl3



liquid film