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Back ChemicalBook Home>CAS DataBase List>68-94-0More Spectrum> 6-Hydroxypurine(68-94-0) 13C NMR

6-Hydroxypurine(68-94-0) 13C NMR

Product Name6-Hydroxypurine

CAS68-94-0

Molecular FormulaC5H4N4O

Molecular Weight136.11

InChIInChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

InChIKey FDGQSTZJBFJUBT-UHFFFAOYSA-N

SmilesN1C2=C(N=CNC2=O)NC=1


  • Mass

    MS-NW-8160          
    hypoxanthine
    C5H4N4O             (Mass of molecular ion:    136)
    

       Source Temperature: 200 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          18.0       2.5
          27.0       3.7
          28.0      31.4
          29.0       6.4
          38.0       2.7
          39.0       3.0
          43.0       2.1
          53.0       8.5
          54.0      29.9
          55.0       3.0
          65.0       1.0
          66.0       2.8
          67.0       1.1
          68.0       1.2
          70.0       1.4
          80.0       2.6
          81.0      10.3
          82.0       4.5
         108.0       5.5
         109.0       5.8
         135.0       5.4
         136.0     100.0
         137.0       7.4
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C5 H4 N4 O saturated in DMSO-d6
    hypoxanthine
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 12.4 B *1 12.2 C 8.14 D 7.991

         Hz     ppm     Int.
    

       5343.60  13.371     48
       4894.00  12.246    247
       3251.42   8.136    309
       3194.36   7.993   1000
    

in DMSO-d6



KBr disc



nujol mull





6-Hydroxypurine(68-94-0) 13C NMR Atlas of Related Products

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