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3-甲氧基苯甲酸甲酯

产品名称 3-甲氧基苯甲酸甲酯

CAS号5368-81-0

分子式C9H10O3

分子量166.17

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  • Mass

    MS-IW-9049          
    methyl m-methoxybenzoate
    C9H10O3             (Mass of molecular ion:    166)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.6
          28.0       1.2
          38.0       2.7
          39.0       2.0
          50.0       3.9
          51.0       2.2
          53.0       1.4
          59.0       1.2
          62.0       1.6
          63.0       7.8
          64.0       9.7
          65.0       1.8
          74.0       1.5
          75.0       1.8
          76.0       3.4
          77.0      23.3
          78.0       2.8
          79.0       2.2
          91.0       1.1
          92.0      14.7
          93.0       1.5
         107.0      34.5
         108.0       4.8
         119.0       1.2
         120.0       1.5
         121.0       1.3
         135.0     100.0
         136.0       9.8
         165.0       1.0
         166.0      68.0
         167.0       6.8
    

400 MHz in CDCl3

parameter in acetone-d6


  • 1H NMR 399.65 MHz
    C9 H10 O3 0.05 ml : 0.5 ml CDCl3
    methyl m-methoxybenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.622 B 7.551 C 7.319 D 7.080 E *1 3.893 F *1 3.819

         Hz     ppm     Int.
    

       3051.76   7.637     82
       3050.78   7.634    106
       3050.29   7.633    108
       3049.32   7.630     92
       3044.19   7.618     99
       3043.09   7.615    115
       3042.60   7.614    121
       3041.63   7.611    108
       3019.78   7.557    114
       3018.19   7.553    114
       3017.21   7.550    124
       3015.75   7.546    108
       2933.35   7.340    101
       2932.86   7.339    101
       2925.66   7.321    120
       2925.05   7.320    167
       2917.36   7.300    110
       2916.99   7.299    109
       2835.45   7.095     90
       2834.47   7.093     95
       2832.76   7.089     90
       2831.79   7.086     90
       2827.27   7.075     78
       2826.17   7.072     79
       2824.46   7.068     76
       2823.49   7.065     76
       1556.15   3.894   1000
       1526.37   3.820    872
    


  • 1H NMR 300 MHz
    C9 H10 O3 1.0 M in acetone-d6
    methyl m-methoxybenzoate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.518 D(B) 7.171 D(C) 7.396 D(D) 7.583 J(A,B) 2.73 J(A,C) 0.46 J(A,D) 1.52 J(B,C) 8.29 J(B,D) 1.07 J(C,D) 7.66 D(E) 3.841 D(F) 3.873 SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)

         Hz     ppm     Int.
    

       2280.31   7.601     40
       2278.94   7.596     63
       2277.71   7.592     46
       2272.68   7.576     52
       2271.28   7.571     81
       2270.08   7.567     61
       2257.32   7.524     72
       2255.77   7.519     71
       2255.00   7.517     80
       2254.65   7.515     79
       2253.49   7.512     66
       2226.91   7.423     60
       2218.75   7.396    108
       2211.02   7.370     59
       2157.09   7.190     55
       2156.00   7.187     56
       2154.35   7.181     54
       2153.26   7.178     52
       2148.83   7.163     43
       2147.74   7.159     44
       2146.09   7.154     43
       2145.00   7.150     40
       1161.89   3.873   1000
       1152.32   3.841   1000
    

in CDCl3



liquid film