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4-(羟甲基)苯甲酸甲酯

产品名称 4-(羟甲基)苯甲酸甲酯

CAS号6908-41-4

分子式C9H10O3

分子量166.17

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  • Mass

    MS-NW-7704          
    methyl p-(hydroxymethyl)benzoate
    C9H10O3             (Mass of molecular ion:    166)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       6.7
          27.0       3.5
          28.0       4.1
          29.0       4.3
          31.0       4.3
          38.0       2.2
          39.0       7.0
          50.0      10.2
          51.0      16.5
          52.0       5.0
          53.0       5.3
          55.0       1.1
          59.0      11.5
          61.0       4.9
          62.0       2.4
          63.0       6.5
          64.0       1.6
          65.0       1.9
          67.0       2.0
          74.0       3.4
          75.0       4.2
          76.0       5.7
          77.0      45.0
          78.0      10.2
          79.0      35.4
          80.0       2.7
          89.0      36.2
          90.0       5.9
          91.0       6.2
          92.0       1.0
          93.0       4.4
         103.0       1.8
         104.0       2.4
         105.0      23.9
         106.0       7.5
         107.0     100.0
         108.0       7.9
         118.0       1.8
         119.0       2.3
         120.0       1.2
         121.0       2.8
         133.0      11.3
         134.0       3.7
         135.0      92.5
         136.0       9.2
         137.0      42.2
         138.0       4.1
         149.0       1.5
         151.0       4.5
         163.0       1.7
         164.0       2.4
         165.0       4.0
         166.0      34.7
         167.0       3.8
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H10 O3 0.031 g : 0.5 ml CDCl3
    methyl p-(hydroxymethyl)benzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.991 B 7.403 C 4.733 D 3.899 E 2.51

         Hz     ppm     Int.
    

       3198.00   8.003    241
       3189.82   7.982    260
       2962.65   7.414    227
       2954.47   7.393    215
       1891.97   4.735    366
       1558.59   3.900   1000
       1548.95   3.876     21
       1548.71   3.876     21
       1004.88   2.515     79
    


  • 1H NMR 89.56 MHz
    C9 H10 O3 0.037 g : 0.5 ml CDCl3
    methyl p-(hydroxymethyl)benzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.992 B 7.41 C 4.741 D 3.900 E 2.4

         Hz     ppm     Int.
    

        720.50   8.045    144
        718.69   8.025     56
        713.88   7.971     77
        712.25   7.953    186
        667.19   7.450    162
        660.50   7.375     65
        659.13   7.360    118
        658.63   7.355    112
        656.94   7.336     34
        424.56   4.741    301
        349.38   3.902   1000
        346.31   3.867     31
        210.06   2.346     35
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder