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21080-92-2

3-Thiophenemalonic acid

Product Name 3-Thiophenemalonic acid

CAS21080-92-2

MFC7H6O4S

MW186.19

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  • 21080-92-2_ms
    Mass

    MS-IW-3618          
    (3-thienyl)malonic acid
    C7H6O4S             (Mass of molecular ion:    186)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       2.0
          27.0       1.1
          28.0       1.5
          39.0       2.7
          44.0      23.3
          45.0      15.1
          47.0       1.1
          48.5       1.1
          50.0       1.4
          51.0       2.1
          53.0       6.8
          58.0       1.3
          69.0       3.7
          70.0       1.8
          71.0       1.5
          85.0       1.4
          95.0       1.0
          96.0       2.3
          97.0     100.0
          98.0       7.5
          99.0       4.9
         124.0       1.9
         142.0      43.1
         143.0       3.3
         144.0       2.2
    

400 MHz in DMSO-d6

  • 21080-92-2_1hnmr

    1H NMR 399.65 MHz
    C7 H6 O4 S 0.039 g : 0.5 ml DMSO-d6
    (3-thienyl)malonic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 7.473 C 7.452 D 7.126 E 4.773 J(B,C)=3.0HZ J(B,D)=4.9HZ J(C,D)=1.5HZ J(C,E)=0.5HZ

         Hz     ppm     Int.
    

       2991.15   7.485    250
       2988.16   7.477    428
       2986.23   7.473    252
       2983.24   7.465    504
       2979.82   7.457    417
       2978.97   7.454    481
       2978.54   7.453    511
       2977.47   7.451    288
       2976.83   7.449    292
       2975.98   7.447    237
       2975.55   7.446    245
       2851.19   7.135    359
       2849.69   7.131    387
       2846.27   7.122    341
       2844.78   7.119    367
       1908.63   4.776   1000
    

in DMSO-d6

  • 21080-92-2_13cnmr

KBr disc

  • 21080-92-2_ir1_2

nujol mull

  • 21080-92-2_ir2