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84-65-1

蒽醌(84-65-1)核磁图(1HNMR)

产品名称:蒽醌

CAS:84-65-1

分子式:C14H8O2

分子量: 208.21

InChI:InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H

InChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-N

Smiles:C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1

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    Mass

    MS-NW-0320          
    anthraquinone
    C14H8O2             (Mass of molecular ion:    208)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          39.0       1.3
          50.0       8.1
          51.0       2.7
          62.0       1.6
          63.0       6.5
          74.0       5.6
          75.0       9.1
          75.5       4.3
          76.0      29.0
          76.5       2.4
          77.0       4.1
          86.0       1.1
          87.0       1.7
          89.5       1.0
          90.0       6.0
          98.0       1.5
          99.0       1.7
         101.0       1.0
         102.0       1.7
         103.5       1.0
         104.0       1.4
         125.0       1.9
         126.0       6.3
         150.0       9.4
         151.0      22.9
         152.0      48.0
         153.0       6.3
         179.0       4.0
         180.0      79.6
         181.0      11.4
         182.0       1.0
         207.0      13.7
         208.0     100.0
         209.0      15.5
         210.0       1.6
    

parameter in CDCl3

400 MHz in CDCl3

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    1H NMR 300 MHz
    C14 H8 O2 in CDCl3
    anthraquinone
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.34 D(B) 7.83 J(A,A') 0.5 J(A,B) 8.1 J(A,B') 1.2 J(A',B) 1.2 J(A',B') 8.1 J(B,B') 7.6 SHARPLESS,N.E. & BRADLEY,R.B. ORG.MAGN.RESON. 6, 115 (1974)

         Hz     ppm     Int.
    

       2511.48   8.372     67
       2510.59   8.369     79
       2506.76   8.356    887
       2503.44   8.345    820
       2500.78   8.336    803
       2497.46   8.325   1000
       2493.57   8.312     99
       2492.82   8.309     87
       2358.18   7.861     87
       2357.44   7.858     99
       2353.55   7.845    999
       2350.23   7.834    799
       2347.56   7.825    820
       2344.24   7.814    887
       2340.42   7.801     79
       2339.53   7.798     67
    

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    1H NMR 399.65 MHz
    C14 H8 O2 saturated in CDCl3
    anthraquinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.324 B 7.810

         Hz     ppm     Int.
    

       3336.18   8.348     65
       3335.21   8.346     80
       3334.11   8.343     31
       3333.37   8.341     33
       3331.67   8.337    864
       3329.71   8.332     60
       3328.25   8.328    682
       3325.81   8.322    629
       3322.51   8.314   1000
       3320.92   8.310     45
       3318.85   8.305     80
       3317.99   8.303     67
       3130.49   7.834     82
       3129.52   7.831     98
       3128.78   7.829     44
       3128.30   7.828     42
       3125.98   7.822    947
       3122.68   7.814    629
       3120.12   7.808    698
       3116.82   7.799    935
       3115.11   7.795     31
       3114.75   7.794     30
       3113.28   7.791     74
       3112.30   7.788     52
    

in CDCl3

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KBr disc

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nujol mull

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SEMIQUINONE ANION RADICAL, RED. WITH GLUCOSE

SEMIQUINONE ANION RADICAL, DAYLIGHT PHOTOLYSIS

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