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Back ChemicalBook Home>CAS DataBase List>13548-68-0More Spectrum> 8-CHLOROXANTHINE(13548-68-0) IR2

8-CHLOROXANTHINE(13548-68-0) IR2

Product Name8-CHLOROXANTHINE

CAS13548-68-0

Molecular FormulaC5H3ClN4O2

Molecular Weight186.56

InChIInChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)

InChIKey OZPCWWUKRLUQSS-UHFFFAOYSA-N

SmilesN1C2=C(NC(=O)NC2=O)NC=1Cl


  • Mass

    MS-NW-1801          
    8-chloroxanthine
    C5H3ClN4O2          (Mass of molecular ion:    186)
    

       Source Temperature: 250 °C
       Sample Temperature: 320 °C
       Direct, 75 eV
    

          16.0       1.5
          17.0       2.1
          18.0      10.2
          26.0       2.3
          27.0      18.5
          28.0      20.8
          29.0       3.6
          35.0       6.2
          36.0      43.3
          37.0       1.8
          38.0      13.8
          39.0       3.6
          40.0       1.4
          41.0       4.0
          42.0       5.0
          43.0      18.3
          44.0      14.8
          47.0       1.7
          50.0       1.3
          51.0       2.8
          52.0       4.6
          53.0      35.6
          54.0     100.0
          55.0       6.5
          56.0       1.4
          57.0       2.1
          61.0       1.0
          62.0       8.1
          64.0       4.3
          65.0       1.2
          66.0       1.1
          67.0       1.5
          68.0       1.8
          69.0       4.0
          70.0       6.7
          71.0       1.1
          73.0       1.3
          77.0       6.9
          78.0       3.6
          79.0       2.4
          80.0       3.2
          81.0       1.8
          82.0       2.2
          83.0       1.3
          84.0       1.0
          87.0       4.3
          88.0       4.2
          89.0       1.9
          90.0       1.4
          93.0       1.0
          94.0       1.5
          95.0       1.0
          97.0       1.9
          98.0       1.0
         108.0       1.1
         109.0       4.0
         110.0       1.0
         114.0       1.8
         115.0      10.8
         116.0       1.7
         117.0       3.5
         124.0       1.3
         125.0       4.2
         140.0       1.3
         141.0       1.7
         142.0       1.3
         143.0      80.3
         144.0       5.0
         145.0      26.2
         146.0       1.7
         152.0       3.7
         167.0       1.3
         168.0       2.5
         186.0      59.0
         187.0       4.5
         188.0      19.6
         189.0       1.5
         204.0       1.0
    

KBr disc



nujol mull



8-CHLOROXANTHINE(13548-68-0) IR2 Atlas of Related Products

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