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网站主页CAS数据库列表 38026-46-9更多图谱5-乙酯基-2-硫代尿嘧啶(38026-46-9)核磁图(13CNMR)

5-乙酯基-2-硫代尿嘧啶

产品名称 5-乙酯基-2-硫代尿嘧啶

CAS号38026-46-9

分子式C7H8N2O3S

分子量200.21


  • Mass

    MS-NW-7885          
    ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
    C7H8N2O3S           (Mass of molecular ion:    200)
    

       Source Temperature: 230 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          14.0       1.9
          15.0       2.4
          17.0       1.5
          18.0       6.1
          25.0       1.7
          26.0       7.6
          27.0      21.6
          28.0      44.3
          29.0      24.3
          31.0      10.6
          32.0       8.9
          33.0       1.0
          38.0       2.1
          39.0       4.2
          40.0      11.3
          41.0       9.4
          42.0      10.4
          43.0       5.2
          44.0      16.9
          45.0      12.7
          46.0       2.6
          50.0       1.3
          51.0       6.0
          52.0       2.4
          53.0      18.3
          54.0       1.4
          55.0       4.7
          57.0       1.5
          58.0       4.0
          59.0      24.6
          60.0      13.5
          61.0       1.8
          67.0       6.4
          68.0      18.0
          69.0      31.7
          70.0       6.4
          71.0       1.9
          72.0       3.3
          83.0       1.4
          84.0       1.2
          85.0      30.3
          86.0       9.4
          87.0       7.8
          94.0       1.4
          95.0       3.5
          96.0      15.0
          97.0       1.3
          98.0       4.9
          99.0       1.6
         100.0       5.9
         110.0       2.4
         111.0       1.4
         112.0       4.1
         113.0       1.5
         114.0       4.8
         126.0       5.5
         127.0       2.4
         128.0      56.2
         129.0       4.5
         130.0       3.0
         142.0       4.1
         154.0      11.7
         155.0      44.3
         156.0      24.4
         157.0       4.1
         158.0       1.3
         172.0      11.3
         173.0       1.0
         200.0     100.0
         201.0      10.3
         202.0       5.7
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H8 N2 O3 S 0.038 g : 0.5 ml DMSO-d6
    ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 12.8 B *1 12.7 C 7.985 D 4.182 E 1.246

         Hz     ppm     Int.
    

       5118.16  12.807     31
       5090.38  12.738     91
       3191.59   7.986    607
       1682.12   4.209    132
       1675.07   4.192    437
       1668.02   4.174    445
       1660.97   4.157    138
        505.36   1.265    491
        498.31   1.247   1000
        494.25   1.237     38
        491.05   1.229    473
    

in DMSO-d6



KBr disc



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