2-Thiouracil(141-90-2) ¹³C NMR

Product Name2-Thiouracil

CAS 141-90-2

Molecular FormulaC4H4N2OS

Molecular Weight128.15

InChIInChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

InChIKey ZEMGGZBWXRYJHK-UHFFFAOYSA-N

SmilesC1(=S)NC=CC(=O)N1

Request For Quotation

Mass

MS-NW-0642          
2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
C4H4N2OS            (Mass of molecular ion:    128)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      14.0       1.2
      18.0       3.2
      26.0       2.6
      27.0       1.2
      28.0      20.6
      32.0       2.7
      38.0       1.2
      39.0       2.2
      40.0      11.5
      41.0      13.6
      42.0      25.5
      43.0       2.2
      44.0       1.4
      45.0       2.3
      46.0       1.5
      50.0       1.4
      52.0       1.0
      53.0       3.3
      58.0       2.5
      59.0       6.1
      60.0       4.3
      64.0       1.3
      67.0       1.8
      68.0      10.1
      69.0      31.7
      70.0      20.0
      72.0       2.3
      73.0       2.2
      95.0       5.0
      96.0       1.3
     100.0       2.9
     128.0     100.0
     129.0       6.1
     130.0       5.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₄ N₂ O S	0.037 g : 0.5 ml DMSO-d₆
2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

    Assign.     Shift(ppm)

      A            12.4
      B             7.426
      C             5.845
     
     J(B,C)=7.7HZ

     Hz     ppm     Int.

   4964.09  12.422     52
   2975.98   7.447     23
   2971.92   7.437    906
   2964.23   7.418    982
   2959.95   7.407     24
   2339.84   5.855   1000
   2332.15   5.836    950

in DMSO-d6