696-04-8

DIHYDROTHYMINE(696-04-8) IR1

Product NameDIHYDROTHYMINE

CAS 696-04-8

Molecular FormulaC5H8N2O2

Molecular Weight128.13

InChIInChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)

InChIKey NBAKTGXDIBVZOO-UHFFFAOYSA-N

SmilesC1(=O)NCC(C)C(=O)N1

Request For Quotation

400 MHz in DMSO-d6

DIHYDROTHYMINE(696-04-8) IR1

¹H NMR	399.65 MHz
C₅ H₈ N₂ O₂	0.037 g : 0.5 ml DMSO-d₆
5-methyl-5,6-dihydro-2,4(1H,3H)-pyrimidinedione

    Assign.     Shift(ppm)

      A     *1      9.9
      B     *1      7.5
      C     *2      3.246
      D     *2      2.951
      E             2.538
      F             1.055
     
     SIGNAL E OVELAPPED BY SOLVENT PEAKS

     Hz     ppm     Int.

   3963.01   9.917    150
   3002.01   7.512    133
   3001.56   7.511    133
   1309.05   3.276     78
   1305.08   3.266     88
   1302.80   3.260     90
   1298.83   3.250    102
   1296.69   3.245    109
   1292.72   3.235    106
   1290.59   3.230    106
   1286.62   3.220     96
   1191.56   2.982    106
   1190.34   2.979    100
   1180.57   2.955    141
   1179.35   2.951    194
   1168.52   2.924    100
   1167.14   2.921     95
   1026.76   2.570     78
   1022.80   2.560     38
   1020.36   2.554    110
   1015.93   2.543     92
   1013.49   2.536     98
   1009.06   2.525    111
   1007.54   2.522     76
   1005.86   2.517    111
   1003.88   2.512    140
   1002.66   2.509    140
    425.11   1.064   1000
    418.09   1.047    949

in DMSO-d6