5-CARBETHOXY-2-THIOURACIL(38026-46-9) ¹³C NMR

Product Name5-CARBETHOXY-2-THIOURACIL

CAS 38026-46-9

Molecular FormulaC7H8N2O3S

Molecular Weight200.21

Request For Quotation

5-CARBETHOXY-2-THIOURACIL(38026-46-9) <sup>13</sup>C NMR
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

5-CARBETHOXY-2-THIOURACIL(38026-46-9) <sup>13</sup>C NMR

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

    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