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网站主页CAS数据库列表 73-31-4更多图谱褪黑素(73-31-4)红外图谱(IR2)

褪黑素

产品名称 褪黑素

CAS号73-31-4

分子式C13H16N2O2

分子量232.28

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  • Mass

    MS-NW-7348          
    N-acetyl-5-methoxytryptamine
    C13H16N2O2          (Mass of molecular ion:    232)
    

       Source Temperature: 170 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          30.0       5.2
          39.0       1.0
          43.0       5.5
          51.0       1.3
          63.0       2.0
          76.0       1.0
          77.0       2.0
          89.0       3.7
          90.0       3.4
          91.0       1.1
         102.0       1.7
         103.0       1.6
         115.0       1.4
         116.0       2.6
         117.0      11.1
         118.0       1.9
         128.0       1.3
         129.0       1.9
         130.0       4.7
         131.0       1.2
         142.0       1.0
         144.0       2.7
         145.0      17.5
         146.0       3.4
         147.0       1.0
         158.0      10.5
         159.0       4.0
         160.0     100.0
         161.0      11.5
         162.0       1.2
         172.0       2.2
         173.0      98.6
         174.0      13.0
         175.0       1.4
         189.0       1.5
         232.0      27.1
         233.0       4.1
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H16 N2 O2 0.040 g : 0.5 ml CDCl3
    N-acetyl-5-methoxytryptamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.37 B 7.248 C 7.028 D 6.984 E 6.860 F 5.70 G 3.845 J 3.571 K 2.926 L 1.916

         Hz     ppm     Int.
    

       3346.80   8.375     41
       3346.31   8.374     41
       2900.88   7.259    165
       2892.46   7.238    162
       2810.30   7.032    130
       2807.86   7.026    135
       2792.24   6.987    119
       2789.92   6.981    117
       2747.07   6.874     96
       2744.63   6.868     88
       2738.16   6.852     87
       2735.84   6.846     79
       2280.88   5.708     30
       2280.27   5.706     30
       2279.91   5.705     30
       2279.30   5.704     30
       1542.48   3.860     41
       1536.99   3.846   1000
       1437.26   3.597     58
       1430.54   3.580    148
       1424.44   3.565    151
       1417.85   3.548     64
       1176.27   2.944    107
       1169.56   2.927    204
       1162.72   2.910     98
        765.87   1.917    904
    


  • 1H NMR 89.56 MHz
    C13 H16 N2 O2 0.043 g : 0.5 ml CDCl3
    N-acetyl-5-methoxytryptamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.35 B 7.234 C 7.03 D 6.98 E 6.863 F 5.71 G 3.842 J 3.564 K 2.926 L 1.911

         Hz     ppm     Int.
    

        653.50   7.297     96
        653.06   7.292     91
        644.69   7.199    152
        644.19   7.193    143
        630.56   7.041     98
        628.38   7.017    137
        626.00   6.990    108
        623.75   6.965    103
        618.94   6.911    110
        616.44   6.883     77
        610.19   6.814     66
        607.81   6.787     51
        344.06   3.842   1000
        322.75   3.604    109
        316.63   3.536    122
        310.50   3.467     61
        268.06   2.994    104
        261.44   2.920    169
        254.63   2.844     67
        171.19   1.912    839
    

in CDCl3



KBr disc



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