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网站主页CAS数据库列表 520-33-2更多图谱橙皮素(520-33-2)质谱(MS)

橙皮素

产品名称 橙皮素

CAS号520-33-2

分子式C16H14O6

分子量302.28

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  • Mass

    MS-IW-1785          
    (S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone
    C16H14O6            (Mass of molecular ion:    302)
    

       Source Temperature: 190 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          39.0       2.8
          41.0       1.2
          43.0       1.2
          50.0       1.3
          51.0       2.5
          52.0       1.4
          53.0       2.0
          55.0       2.4
          63.0       1.2
          65.0       1.4
          67.0       1.1
          69.0       6.0
          77.0       4.8
          78.0       2.7
          79.0       2.1
          89.0       1.7
          91.0       1.4
          96.0       2.3
         107.0       6.5
         108.0       1.0
         111.0       1.9
         121.0       1.0
         123.0       2.5
         124.0       9.8
         130.0       4.2
         134.0       1.2
         135.0      25.6
         136.0       3.4
         137.0      70.6
         138.0       6.3
         149.0       2.0
         150.0      45.3
         151.0       6.7
         152.0       4.4
         153.0      31.0
         154.0       2.5
         177.0       1.3
         178.0       2.5
         179.0      15.1
         180.0       1.5
         216.0       1.5
         217.0       1.6
         231.0       1.5
         259.0       5.1
         271.0       1.2
         274.0       1.7
         284.0       3.4
         285.0       5.8
         286.0       2.6
         287.0       2.1
         300.0       1.2
         301.0      24.0
         302.0     100.0
         303.0      17.6
         304.0       2.7
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C16 H14 O6 0.030 g : 0.5 ml DMSO-d6
    (S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 12.1 B *1 10.8 C *1 9.1 D 6.939 E 6.934 F 6.881 G *2 5.909 J *2 5.898 K 5.434 L 3.780 M *3 3.201 N *3 2.716

         Hz     ppm     Int.
    

       4856.11  12.151    598
       4322.54  10.816     90
       3645.38   9.122    156
       2776.44   6.948    132
       2774.61   6.943    177
       2772.59   6.938    197
       2768.20   6.927    221
       2753.91   6.891    121
       2751.89   6.886    103
       2745.48   6.870     62
       2743.65   6.866     55
       2363.03   5.913    179
       2361.02   5.908    387
       2357.90   5.900    394
       2355.70   5.895    175
       2179.68   5.454     60
       2176.57   5.447     68
       2167.23   5.423     70
       2164.30   5.416     64
       1510.76   3.781   1000
       1294.99   3.241     65
       1282.53   3.210     64
       1277.77   3.198     73
       1265.31   3.167     73
       1095.15   2.741     75
       1092.04   2.733     82
       1078.12   2.698     70
       1074.82   2.690     65
    

in DMSO-d6



KBr disc



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