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3-Methylbenzoyl chloride

Product Name 3-Methylbenzoyl chloride

CAS1711-06-4

MFC8H7ClO

MW154.59

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  • Mass

    MS-NW-2821          
    m-toluoyl chloride
    C8H7ClO             (Mass of molecular ion:    154)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          37.0       1.0
          38.0       1.7
          39.0       8.0
          41.0       2.2
          45.0       1.3
          45.5       2.2
          50.0       3.8
          51.0       4.0
          52.0       1.1
          59.0       1.9
          59.5       1.4
          61.0       1.2
          62.0       2.9
          63.0       7.5
          64.0       2.3
          65.0      18.1
          66.0       1.0
          74.0       1.1
          89.0       6.9
          90.0       4.2
          91.0      61.5
          92.0       4.8
         119.0     100.0
         120.0       8.9
         154.0       7.4
         156.0       2.3
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C8 H7 Cl O 5.0 mol% in CCl4
    m-toluoyl chloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.417 D(B) 7.342 D(C) 7.876 D(D) 7.862 J(A,B) 7.65 J(A,C) 1.22 J(A,D) 1.79 J(B,C) 7.88 J(B,D) 0.51 J(C,D) 1.93 D(E) 2.420 YAMAMOTO,O. ET AL. ANAL.CHEM. 44, 1794 (1972) SMALL LONG RANGE COUPLINGS EXIST BETWEEN CH3(E) AND AROMATIC PROTONS

         Hz     ppm     Int.
    

       2368.51   7.895     35
       2366.64   7.889     65
       2365.22   7.884     56
       2360.55   7.868     78
       2359.49   7.865    201
       2357.96   7.860    183
       2231.11   7.437     31
       2229.64   7.432     50
       2228.02   7.427     34
       2223.51   7.412     66
       2221.93   7.406    113
       2220.36   7.401     60
       2209.81   7.366     67
       2208.70   7.362     51
       2202.66   7.342     58
       2201.65   7.339     75
       2194.95   7.316     27
       2193.99   7.313     32
        725.99   2.420   1000
    

in CDCl3



liquid film