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99-93-4

对羟基苯乙酮(99-93-4)质谱(MS)

产品名称:对羟基苯乙酮

CAS:99-93-4

分子式:C8H8O2

分子量: 136.15

InChI:InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3

InChIKey: TXFPEBPIARQUIG-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(O)C=C1)C

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    Mass

    MS-NW-8737          
    4'-hydroxyacetophenone
    C8H8O2              (Mass of molecular ion:    136)
    

       Source Temperature: 290 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       4.2
          27.0       1.0
          38.0       2.1
          39.0      11.8
          43.0       7.3
          50.0       1.8
          51.0       2.2
          53.0       2.8
          62.0       1.8
          63.0       4.2
          64.0       2.4
          65.0      22.3
          66.0       2.2
          77.0       2.4
          92.0       1.7
          93.0      33.2
          94.0       3.0
         107.0       1.1
         121.0     100.0
         122.0       7.9
         136.0      33.4
         137.0       3.1
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H8 O2 0.040 g : 0.5 ml CDCl3
    4'-hydroxyacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.69 B 7.925 C 6.985 D 2.601

         Hz     ppm     Int.
    

       3472.17   8.689     33
       3174.80   7.944     42
       3172.00   7.937    277
       3169.92   7.932     88
       3165.28   7.921     96
       3163.21   7.915    284
       3160.40   7.908     33
       2798.71   7.003     45
       2795.90   6.996    296
       2793.82   6.991     89
       2789.06   6.979     94
       2786.99   6.974    276
       2784.18   6.967     31
       1039.79   2.602   1000
    

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    1H NMR 89.56 MHz
    C8 H8 O2 0.032 g : 0.5 ml CDCl3
    4'-hydroxyacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.5 B 7.915 C 6.974 D 2.593

         Hz     ppm     Int.
    

        758.88   8.474     25
        716.44   8.000     32
        713.63   7.969    194
        711.56   7.946     64
        709.06   7.918     24
        706.81   7.893     81
        704.69   7.869    227
        702.00   7.839     31
        631.38   7.050     38
        628.56   7.019    238
        626.44   6.995     70
        621.75   6.943     69
        619.63   6.919    186
        616.94   6.889     24
        232.25   2.594   1000
    

in CDCl3

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KBr disc

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nujol mull

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