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网站主页CAS数据库列表 81-64-1更多图谱1,4-二羟基蒽醌(81-64-1)质谱(MS)

1,4-二羟基蒽醌

产品名称 1,4-二羟基蒽醌

CAS号81-64-1

分子式C14H8O4

分子量240.21

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  • Mass

    MS-NW-6979          
    1,4-dihydroxyanthraquinone
    C14H8O4             (Mass of molecular ion:    240)
    

       Source Temperature: 220 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       2.8
          28.0       1.3
          39.0       1.1
          50.0       2.6
          51.0       5.4
          52.0       1.1
          53.0       2.6
          55.0       1.4
          62.0       1.0
          63.0       2.5
          63.5       1.0
          64.0       3.0
          66.0       1.2
          74.0       2.1
          75.0       3.8
          76.0       3.4
          77.0       4.7
          78.0       2.1
          79.0       2.3
          92.0       3.7
         101.0       3.2
         102.0       6.7
         105.0       2.2
         120.0       3.5
         126.0       1.7
         127.0       4.0
         128.0       7.4
         129.0       2.1
         139.0       1.0
         155.0       2.2
         156.0       1.3
         157.0       1.2
         158.0       1.6
         183.0       4.9
         184.0       3.4
         211.0       1.5
         212.0       3.9
         239.0      14.9
         240.0     100.0
         241.0      15.2
         242.0       2.1
    

400 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 399.65 MHz
    C14 H8 O4 saturated in CDCl3
    1,4-dihydroxyanthraquinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.9 B 8.323 C 7.826 D 7.290

         Hz     ppm     Int.
    

       5145.08  12.874    953
       3335.18   8.346     32
       3334.33   8.344     35
       3330.69   8.335    254
       3327.49   8.327    233
       3324.92   8.320    225
       3321.51   8.312    261
       3317.87   8.302     35
       3136.45   7.848     39
       3135.60   7.846     42
       3132.18   7.838    301
       3128.76   7.829    257
       3126.20   7.823    246
       3122.99   7.815    271
       3121.07   7.810     21
       3119.36   7.806     32
       3118.51   7.804     23
       2913.80   7.291   1000
    


  • 1H NMR 300 MHz
    C14 H8 O4 5 mol% in CDCl3
    1,4-dihydroxyanthraquinone
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.300 D(B) 7.790 J(A,A') 0.56 J(A,B) 7.86 J(A,B') 1.31 J(A',B) 1.31 J(A',B') 7.86 J(B,B') 7.40 D(C) 7.259 D(D) 12.807 J(C,C') 0.0 J(C,D) 0.0 J(C,D') 0.42 J(C',D) 0.42 J(C',D') 0.0 J(D,D') 0.0 CRECELY,K.M. ET AL. J.MAGN.RESON. 1, 633 (1969)

         Hz     ppm     Int.
    

       3842.12  12.807   1000
       2499.28   8.331     22
       2498.30   8.328     27
       2494.68   8.316    305
       2491.38   8.305    290
       2488.90   8.296    280
       2485.54   8.285    350
       2481.93   8.273     33
       2481.05   8.270     28
       2345.97   7.820     29
       2345.15   7.817     34
       2341.48   7.805    344
       2338.12   7.794    280
       2335.70   7.786    285
       2332.34   7.774    311
       2328.78   7.763     27
       2327.80   7.759     22
       2177.74   7.259   1000
    

in CDCl3



KBr disc



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