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Back ChemicalBook Home>CAS DataBase List>2683-90-1More Spectrum> 8-AZAHYPOXANTHINE(2683-90-1) 1H NMR

8-AZAHYPOXANTHINE(2683-90-1) 1H NMR

Product Name8-AZAHYPOXANTHINE

CAS2683-90-1

Molecular FormulaC4H3N5O

Molecular Weight137.1

InChIInChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)

InChIKey OEEYCNOOAHGFHL-UHFFFAOYSA-N

SmilesC1NC(=O)C2N=NNC=2N=1


  • Mass

    MS-NW-1177          
    8-azapurin-6-ol
    C4H3N5O (H2O)       (Mass of molecular ion:    137)
    

       Source Temperature: 240 °C
       Sample Temperature: 260 °C
       Direct, 75 eV
    

          12.0       1.7
          13.0       1.3
          14.0       1.3
          17.0       1.0
          18.0       5.3
          24.0       1.3
          26.0       2.4
          27.0      20.2
          28.0     100.0
          29.0      10.6
          38.0      11.4
          39.0      11.7
          40.0       1.9
          41.0       2.5
          42.0       2.0
          43.0       2.6
          44.0       2.6
          52.0       3.7
          53.0      23.7
          54.0      89.2
          55.0       7.3
          65.0       2.4
          66.0       9.8
          67.0       7.4
          68.0       2.9
          69.0       1.8
          81.0       3.2
          82.0       2.9
         108.0       4.3
         109.0      23.6
         110.0       1.8
         111.0       1.4
         136.0       5.1
         137.0      95.0
         138.0       5.9
    



KBr disc



nujol mull



8-AZAHYPOXANTHINE(2683-90-1) 1H NMR Atlas of Related Products

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