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Back ChemicalBook Home>CAS DataBase List>1468-26-4More Spectrum> 8-AZAXANTHIN(1468-26-4) IR2

8-AZAXANTHIN(1468-26-4) IR2

Product Name8-AZAXANTHIN

CAS1468-26-4

Molecular FormulaC4H3N5O2

Molecular Weight153.1

InChIInChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)

InChIKey KVGVQTOQSNJTJI-UHFFFAOYSA-N

SmilesC1(=O)NC(=O)C2N=NNC=2N1


  • Mass

    MS-NW-5321          
    8-azaxanthine
    C4H3N5O2 H2O        (Mass of molecular ion:    153)
    

       Source Temperature: 190 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          12.0       1.3
          13.0       1.7
          16.0       1.3
          17.0       4.1
          18.0      12.7
          24.0       1.1
          25.0       1.3
          26.0       2.0
          27.0      22.0
          28.0      25.1
          29.0      18.1
          30.0       1.3
          38.0       6.1
          39.0       3.4
          40.0       1.5
          41.0       4.6
          42.0       4.0
          43.0      13.9
          44.0      10.9
          52.0       4.5
          53.0      84.6
          54.0      40.0
          55.0       4.7
          56.0       1.1
          67.0      11.2
          68.0       1.9
          69.0       6.1
          70.0       7.9
          82.0       7.1
          83.0       1.8
          97.0       1.3
         110.0     100.0
         111.0       5.2
         125.0      11.0
         127.0       1.2
         153.0      93.7
         154.0       6.3
    

KBr disc



nujol mull



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