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网站主页CAS数据库列表 77359-11-6更多图谱丙二酸单对硝基苄酯(77359-11-6)核磁图(1HNMR)

丙二酸单对硝基苄酯

产品名称 丙二酸单对硝基苄酯

CAS号77359-11-6

分子式C10H9NO6

分子量239.18

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  • Mass

    MS-IW-7575          
    4-nitrobenzyl hydrogen malonate
    C10H9NO6            (Mass of molecular ion:    239)
    

       Source Temperature: 160 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          14.0       3.0
          15.0       1.1
          18.0       4.6
          27.0       1.4
          28.0       5.9
          29.0       1.6
          30.0       5.5
          31.0       1.2
          38.0       1.0
          39.0       3.8
          40.0       1.0
          41.0       4.2
          42.0      25.1
          43.0      41.3
          44.0      53.1
          45.0       1.6
          50.0       4.7
          51.0       9.1
          52.0       2.7
          53.0       1.7
          60.0       4.3
          62.0       1.5
          63.0       5.8
          64.0       1.9
          65.0       1.5
          66.0       1.0
          74.0       1.7
          75.0       2.1
          76.0       3.4
          77.0      20.7
          78.0      13.4
          79.0       5.1
          87.0       4.7
          89.0      33.6
          90.0       6.3
          91.0       1.4
          92.0       1.2
          94.0       2.8
         104.0       1.2
         105.0       5.5
         106.0      18.1
         107.0      10.2
         108.0       6.0
         120.0       1.5
         121.0       2.2
         122.0       2.7
         123.0       1.0
         124.0       3.3
         125.0       1.2
         135.0       4.2
         136.0      21.8
         137.0       3.5
         150.0       2.8
         151.0       2.5
         152.0      19.7
         153.0     100.0
         154.0       8.4
         193.0       2.3
         195.0      19.1
         196.0       2.2
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C10 H9 N O6 0.042 g : 0.5 ml DMSO-d6
    4-nitrobenzyl hydrogen malonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.9 B 8.242 C 7.668 D 5.316 E 3.539

         Hz     ppm     Int.
    

       5162.61  12.918     93
       3301.21   8.261     61
       3298.85   8.255    366
       3296.93   8.250    149
       3292.02   8.238    138
       3290.09   8.233    407
       3287.53   8.227     65
       3069.79   7.682     60
       3067.43   7.676    325
       3066.79   7.674    304
       3065.30   7.670    147
       3058.46   7.653    332
       2124.87   5.317    650
       1414.59   3.540   1000
       1410.74   3.530     43
    

in DMSO-d6



KBr disc



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