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网站主页CAS数据库列表 88-13-1更多图谱3-噻吩甲酸(88-13-1)核磁图(1HNMR)

3-噻吩甲酸

产品名称 3-噻吩甲酸

CAS号88-13-1

分子式C5H4O2S

分子量128.15

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  • Mass

    MS-NW-3448          
    3-thiophenecarboxylic acid
    C5H4O2S             (Mass of molecular ion:    128)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.0
          28.0       1.2
          37.0       3.2
          38.0       5.1
          39.0      28.6
          40.0       1.2
          44.0       2.4
          45.0      15.1
          49.0       1.5
          50.0       4.5
          51.0       1.3
          53.0       1.4
          55.0       1.0
          55.5       1.4
          56.0       1.0
          57.0       5.5
          58.0       4.4
          69.0       1.3
          71.0       1.1
          81.0       4.0
          82.0       5.2
          83.0      17.3
          84.0       3.0
          85.0       1.0
         100.0       1.0
         111.0     100.0
         112.0       6.4
         113.0       5.0
         128.0      80.6
         129.0       5.4
         130.0       4.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H4 O2 S 0.035 g : 0.5 ml CDCl3
    3-thiophenecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.08 B 8.243 C 7.574 D 7.340 J(B,D)=3.0HZ. J(B,C)=1.2HZ J(C,D)=5.1HZ.

         Hz     ppm     Int.
    

       1081.62  12.078    118
        740.50   8.269    750
        739.31   8.255    855
        737.51   8.235    843
        736.23   8.221    830
        682.06   7.616    634
        680.86   7.603    627
        677.01   7.560    942
        675.73   7.546    978
        660.95   7.380   1000
        657.87   7.346    883
        655.82   7.323    662
        652.83   7.290    608
    

in CDCl3



KBr disc



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