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23945-50-8

2-THIOURACIL-5-CARBOXYLIC ACID

Product Name 2-THIOURACIL-5-CARBOXYLIC ACID

CAS23945-50-8

MFC5H4N2O3S

MW172.16

  • 23945-50-8_ms_1
    Mass

    MS-NW-7134          
    4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid
    C5H4N2O3S           (Mass of molecular ion:    172)
    

       Source Temperature: 200 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          14.0       1.1
          17.0       2.0
          18.0       8.6
          25.0       1.2
          26.0       1.7
          27.0       4.2
          28.0      27.5
          29.0       2.2
          32.0       5.9
          33.0       1.4
          38.0       3.2
          39.0       5.5
          40.0      13.6
          41.0      11.6
          42.0      15.7
          43.0       2.5
          44.0      13.9
          45.0       8.0
          46.0       1.5
          51.0       3.0
          52.0       5.6
          53.0      21.4
          54.0       1.3
          55.0       2.7
          57.0       2.0
          58.0       3.9
          59.0      18.9
          60.0      12.6
          61.0       1.7
          64.0       4.0
          67.0       6.3
          68.0      20.3
          69.0      21.0
          70.0       8.4
          71.0       1.9
          72.0       2.4
          73.0       1.2
          76.0       1.0
          83.0       1.1
          84.0       1.8
          85.0      33.0
          86.0       8.6
          87.0       1.2
          94.0       1.2
          95.0       1.9
          96.0       4.2
          98.0       1.7
         100.0       6.6
         101.0       1.0
         110.0       1.7
         112.0       1.3
         113.0       1.1
         114.0       3.9
         126.0       2.8
         127.0       1.4
         128.0      49.9
         129.0       3.3
         130.0       2.9
         144.0       1.2
         154.0       5.5
         155.0       2.0
         172.0     100.0
         173.0       7.5
         174.0       5.6
    

400 MHz in DMSO-d6

  • 23945-50-8_1hnmr_1

    1H NMR 399.65 MHz
    C5 H4 N2 O3 S 0.041 g : 0.5 ml DMSO-d6
    4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.0 B 8.054

         Hz     ppm     Int.
    

       5221.16  13.065     22
       3223.00   8.065     23
       3218.94   8.055   1000
    

KBr disc

  • 23945-50-8_ir1_2

nujol mull

  • 23945-50-8_ir2_1