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Back ChemicalBook Home>CAS DataBase List>1979-98-2More Spectrum> 2-Methylthio-4,6-pyrimidinedione(1979-98-2) 1H NMR

2-Methylthio-4,6-pyrimidinedione(1979-98-2) 1H NMR

Molecular FormulaC5H6N2O2S

Molecular Weight158.18

InChIInChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)

InChIKey AEXCUJUYEZIWJV-UHFFFAOYSA-N

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


  • Mass

    MS-IW-1585          
    2-methylthio-4,6-pyrimidinediol
    C5H6N2O2S           (Mass of molecular ion:    158)
    

       Source Temperature: 190 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       1.3
          18.0       5.7
          28.0       4.0
          29.0       1.9
          30.0       1.8
          39.0       1.0
          40.0       1.9
          41.0       4.2
          42.0       7.4
          43.0      34.2
          44.0       7.0
          45.0       5.8
          46.0       4.0
          47.0       5.1
          48.0       2.4
          56.0       2.5
          57.0       2.5
          59.0       1.9
          60.0       2.3
          67.0       2.3
          68.0       3.5
          69.0      46.4
          70.0       2.8
          71.0       1.3
          73.0       4.8
          74.0       6.4
          84.0       2.1
          85.0       9.4
          86.0       4.9
          88.0       1.4
          89.0       5.5
          90.0       8.3
          96.0       1.8
          97.0       6.4
          98.0       1.0
         102.0       1.4
         111.0      11.5
         112.0      14.7
         113.0       1.3
         115.0       1.3
         116.0       7.8
         117.0       2.3
         125.0       3.7
         126.0       1.0
         130.0       6.8
         143.0       1.5
         157.0       2.1
         158.0     100.0
         159.0       8.8
         160.0       5.2
         172.0       4.0
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C5 H6 N2 O2 S 0.033 g : 0.5 ml DMSO-d6
    2-methylthio-4,6-pyrimidinediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.8 B 5.157 C 2.475

         Hz     ppm     Int.
    

       2061.36   5.158    372
        989.28   2.476   1000
    

in DMSO-d6



KBr disc



nujol mull





2-Methylthio-4,6-pyrimidinedione(1979-98-2) 1H NMR Atlas of Related Products

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