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网站主页CAS数据库列表 43043-74-9更多图谱去氧紫草素(43043-74-9)质谱(MS)

去氧紫草素

产品名称 去氧紫草素

CAS号43043-74-9

分子式C16H16O4

分子量272.3

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  • Mass

    MS-IW-3625          
    5,8-dihydroxy-2-(4-methyl-3-pentenyl)-1,4-naphthoquinone
    C16H16O4            (Mass of molecular ion:    272)
    

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

          18.0       2.0
          27.0       2.5
          28.0       1.0
          29.0       1.6
          39.0       5.7
          41.0      44.8
          42.0       1.8
          43.0       1.6
          51.0       3.1
          52.0       2.2
          53.0       4.8
          55.0       1.9
          63.0       1.8
          65.0       4.0
          67.0       2.1
          69.0     100.0
          70.0       6.7
          77.0       2.6
          79.0       1.9
          81.0       1.3
          89.0       1.4
          91.0       5.2
         102.0       1.1
         103.0       1.0
         107.0       1.3
         108.0       3.7
         115.0       1.5
         119.0       2.1
         121.0       1.6
         136.0       1.0
         137.0       2.9
         147.0       3.0
         148.0       1.1
         175.0       4.6
         176.0       1.8
         187.0       1.6
         188.0       1.9
         189.0       2.4
         203.0       4.0
         204.0      66.4
         205.0       8.9
         206.0       2.0
         216.0      21.2
         217.0       4.0
         229.0      17.3
         230.0       3.0
         239.0       5.3
         240.0       1.0
         243.0       1.6
         254.0       5.9
         255.0       1.7
         257.0       2.3
         272.0      58.3
         273.0      10.6
         274.0       2.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C16 H16 O4 0.042 g : 0.5 ml CDCl3
    5,8-dihydroxy-2-(4-methyl-3-pentenyl)-1,4-naphthoquinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 12.6 B *1 12.4 C 7.18 D 6.822 E 5.140 F 2.620 G 2.298 J 1.698 K 1.603

         Hz     ppm     Int.
    

       5035.25  12.600    860
       4972.23  12.442    861
       2869.30   7.180    940
       2868.75   7.179   1000
       2727.72   6.826    234
       2726.43   6.823    472
       2725.33   6.820    242
       2063.19   5.163     44
       2061.72   5.159     59
       2060.26   5.156     48
       2058.97   5.152     33
       2057.51   5.149     47
       2056.04   5.145     95
       2054.58   5.141    124
       2053.11   5.138     97
       2051.83   5.135     52
       2050.37   5.131     36
       2048.90   5.127     52
       2047.44   5.124     63
       2046.15   5.120     50
       1055.95   2.643    142
       1054.86   2.640    149
       1048.63   2.624    255
       1047.53   2.622    296
       1040.75   2.605    188
       1039.65   2.602    192
        929.57   2.326     71
        922.06   2.308    174
        914.55   2.289    166
        907.22   2.271     61
        679.55   1.701    752
        678.45   1.698    750
        641.27   1.605    829
        640.90   1.604    833
    

in CDCl3



KBr disc



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