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51863-60-6

3,5-二羟基苯乙酮(51863-60-6)质谱(MS)

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3

InChIKey: WQXWIKCZNIGMAP-UHFFFAOYSA-N

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

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    Mass

    MS-IW-0737          
    3',5'-dihydroxyacetophenone
    C8H8O3              (Mass of molecular ion:    152)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       1.3
          28.0       1.1
          39.0       1.5
          43.0      11.4
          51.0       1.6
          53.0       2.8
          55.0       1.1
          63.0       1.1
          68.5       2.0
          69.0       9.2
          81.0       6.8
         109.0      46.9
         110.0       4.1
         137.0     100.0
         138.0       8.0
         152.0      99.8
         153.0       9.2
         154.0       1.1
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C8 H8 O3 0.039 g : 0.5 ml DMSO-d6
    3',5'-dihydroxyacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.62 B 6.813 C 6.486 D 2.481

         Hz     ppm     Int.
    

       3845.37   9.622    655
       2724.00   6.816    458
       2721.71   6.811    470
       2594.45   6.492    126
       2592.16   6.487    228
       2590.03   6.481    120
        991.52   2.481   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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