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网站主页CAS数据库列表 59642-21-6更多图谱对硝基苯甲酰-beta-丙氨酸(59642-21-6)核磁图(1HNMR)

对硝基苯甲酰-beta-丙氨酸

产品名称 对硝基苯甲酰-beta-丙氨酸

CAS号59642-21-6

分子式C10H10N2O5

分子量238.2


  • Mass

    MS-NW-7925          
    N-(4-nitrobenzoyl)-beta-alanine
    C10H10N2O5          (Mass of molecular ion:    238)
    

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

          18.0       3.6
          27.0       2.8
          28.0       3.3
          29.0       1.6
          30.0       2.4
          38.0       1.1
          39.0       1.8
          42.0       1.5
          43.0       2.3
          44.0       2.0
          45.0       2.6
          50.0      10.8
          51.0       3.7
          55.0       3.2
          56.0       1.5
          63.0       1.9
          64.0       3.0
          65.0       3.1
          70.0       9.4
          71.0       1.8
          73.0       1.2
          74.0       3.9
          75.0      10.7
          76.0      22.6
          77.0       3.7
          88.0      45.2
          89.0       2.1
          92.0      11.2
          93.0       1.1
          98.0       1.6
         103.0       6.3
         104.0      33.1
         105.0       3.1
         120.0      12.6
         121.0       2.2
         122.0       1.2
         134.0       3.3
         145.0       1.0
         149.0       1.7
         150.0     100.0
         151.0      13.4
         152.0       1.6
         164.0       1.2
         166.0       1.1
         167.0       2.2
         175.0       1.6
         178.0       4.2
         179.0       3.2
         191.0       3.2
         192.0      17.4
         193.0       4.8
         220.0       1.2
         221.0       4.8
         238.0      14.8
         239.0       1.9
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H10 N2 O5 0.042 g : 0.5 ml DMSO-d6
    N-(4-nitrobenzoyl)-beta-alanine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.4 B 8.91 C 8.325 D 8.082 E 3.520 F 2.574 J(E,B)=5.2HZ

         Hz     ppm     Int.
    

       4967.66  12.431     30
       3564.24   8.919     97
       3558.93   8.906    192
       3553.61   8.892    100
       3334.55   8.344    100
       3332.17   8.338    846
       3330.15   8.333    265
       3325.20   8.321    301
       3323.19   8.316   1000
       3320.81   8.310    143
       3236.55   8.099    124
       3234.17   8.093    952
       3231.97   8.088    279
       3227.21   8.076    257
       3225.20   8.071    786
       3222.81   8.065    109
       1416.43   3.545    156
       1409.28   3.527    371
       1403.79   3.513    380
       1396.83   3.496    168
       1035.62   2.592    356
       1028.66   2.574    772
       1021.52   2.557    340
    

in DMSO-d6



KBr disc



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