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Back ChemicalBook Home>CAS DataBase List>40775-78-8More Spectrum> 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine(40775-78-8) IR1

40775-78-8

7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine(40775-78-8) IR1

Molecular FormulaC7H8N4OS

Molecular Weight196.23

InChIInChI=1S/C7H8N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3,12H,1-2H3

InChIKey ATSUZWSBVKDCRP-UHFFFAOYSA-N

SmilesC12=NC(SC)=NN1C(O)=CC(C)=N2

  • 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine(40775-78-8) IR1
    Mass

    MS-IW-9741          
    5-methyl-2-methylthio(1,2,4)triazolo(1,5-a)pyrimidin-7-ol
    C7H8N4OS            (Mass of molecular ion:    196)
    

       Source Temperature: 190 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          14.0       1.2
          15.0       4.3
          18.0       2.8
          26.0       4.6
          27.0      24.7
          28.0      19.6
          29.0       1.7
          32.0       1.9
          34.0       1.7
          36.0       1.1
          37.0       3.4
          38.0       9.4
          39.0      32.9
          40.0      18.5
          41.0      13.9
          42.0      17.6
          43.0       5.8
          44.0       4.3
          45.0      11.0
          46.0       6.6
          47.0       7.4
          48.0       3.5
          50.0       1.0
          51.0       2.2
          52.0       3.6
          53.0       4.7
          54.0       3.1
          55.0       3.7
          56.0       1.2
          57.0       1.1
          58.0       2.7
          59.0       2.0
          60.0       1.0
          63.0       1.2
          64.0       5.1
          65.0       6.3
          66.0      12.4
          67.0      33.1
          68.0      12.2
          69.0       3.5
          70.0       3.6
          71.0       1.0
          72.0       1.9
          73.0       3.3
          74.0       5.0
          76.0       1.9
          80.0       1.1
          81.0       1.1
          82.0       2.4
          83.0       5.6
          84.0       8.7
          85.0      14.9
          86.0       1.3
          87.0       2.3
          88.0       1.2
          93.0       1.7
          94.0      14.7
          95.0       3.7
          96.0       8.0
          97.0       4.8
          98.0       1.0
         107.0       1.5
         108.0       4.5
         109.0      14.2
         110.0      12.5
         111.0       2.2
         112.0       1.3
         113.0       1.1
         114.0       1.1
         121.0       4.1
         122.0       2.9
         123.0       1.6
         125.0       9.7
         126.0       4.8
         135.0       3.6
         136.0       1.8
         138.0       1.8
         150.0       2.5
         151.0      39.3
         152.0       3.9
         153.0      19.0
         154.0       2.4
         155.0       1.2
         163.0      15.6
         164.0       1.9
         167.0       1.9
         168.0       5.2
         169.0       1.2
         195.0       3.8
         196.0     100.0
         197.0      11.6
         198.0       5.2
    

400 MHz in DMSO-d6

  • 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine(40775-78-8) IR1

    1H NMR 399.65 MHz
    C7 H8 N4 O S 0.038 g : 0.5 ml DMSO-d6
    5-methyl-2-methylthio(1,2,4)triazolo(1,5-a)pyrimidin-7-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.1 B 5.801 C 2.602 D 2.305

         Hz     ppm     Int.
    

       5255.78  13.151     33
       2318.89   5.803    204
       2318.16   5.801    209
       1040.02   2.603   1000
        921.33   2.306    627
    

in DMSO-d6

  • 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine(40775-78-8) IR1

KBr disc

  • 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine(40775-78-8) IR1

nujol mull

  • 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine(40775-78-8) IR1

7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine(40775-78-8) IR1 Atlas of Related Products

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