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网站主页CAS数据库列表 521-31-3更多图谱鲁米诺(521-31-3)核磁图(13CNMR)

鲁米诺

产品名称 鲁米诺

CAS号521-31-3

分子式C8H7N3O2

分子量177.16

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  • Mass

    MS-NW-8505          
    5-amino-2,3-dihydro-1,4-phthalazinedione
    C8H7N3O2            (Mass of molecular ion:    177)
    

       Source Temperature: 240 °C
       Sample Temperature: 280 °C
       Direct, 75 eV
    

          27.0       1.3
          28.0       7.7
          29.0       1.3
          37.0       1.5
          38.0       2.7
          39.0       6.2
          40.0       1.2
          41.0       3.0
          43.0       1.1
          44.0       2.7
          45.5       2.2
          48.0       3.6
          50.0       2.2
          51.0       3.0
          52.0       5.3
          53.0       1.6
          60.0       1.3
          61.0       1.3
          62.0       2.7
          63.0       6.6
          64.0      10.8
          65.0      16.6
          66.0       3.3
          73.5       1.3
          74.0       1.1
          75.0       4.6
          76.0       3.0
          77.0       2.6
          78.0       1.7
          79.0       1.4
          88.5       1.0
          89.0       1.3
          90.0       3.9
          91.0      41.6
          92.0      13.8
          93.0       2.9
         103.0       2.5
         104.0       3.6
         105.0       2.4
         106.0       1.2
         116.0       1.4
         117.0       1.8
         118.0       1.2
         119.0      58.6
         120.0       9.5
         133.0       1.3
         143.0       1.3
         147.0       3.1
         148.0       2.0
         162.0       3.2
         177.0     100.0
         178.0      10.1
         179.0       1.0
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H7 N3 O2 0.038 g : 0.5 ml DMSO-d6
    5-amino-2,3-dihydro-1,4-phthalazinedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.2 B 7.490 C 7.36 D 6.999 E 6.939

         Hz     ppm     Int.
    

       4484.46  11.221     86
       3005.76   7.521     63
       3002.10   7.512    590
       2998.07   7.502    105
       2994.04   7.492   1000
       2990.56   7.483    118
       2986.35   7.473    718
       2983.05   7.465     95
       2939.46   7.356    191
       2801.35   7.010    749
       2800.43   7.008    931
       2797.14   6.999     99
       2793.84   6.991    792
       2792.92   6.989    855
       2781.20   6.960     94
       2777.90   6.951    756
       2776.99   6.949    832
       2769.84   6.931    739
       2768.74   6.928    771
    


  • 1H NMR 89.56 MHz
    C8 H7 N3 O2 0.041 g : 0.5 ml DMSO-d6
    5-amino-2,3-dihydro-1,4-phthalazinedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.479 B 7.00 C 6.95 D 6.42

         Hz     ppm     Int.
    

        679.06   7.583    341
        671.25   7.495    628
        663.31   7.407    618
        631.31   7.050    375
        630.19   7.037    759
        628.31   7.016     86
        627.50   7.007     91
        625.75   6.987    638
        624.56   6.974    473
        623.63   6.964    519
        622.44   6.950    475
        619.38   6.916     84
        617.69   6.897    485
        616.50   6.884    387
        575.00   6.421   1000
    

DMSO-d6



KBr disc



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