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2487-40-3

2-巯基-6-羟基嘌呤(2487-40-3)红外图谱(IR1)

分子式:C5H4N4OS

分子量: 168.18

InChI:InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

InChIKey: XNHFAGRBSMMFKL-UHFFFAOYSA-N

Smiles:N1C2=C(NC(=S)NC2=O)NC=1

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    Mass

    MS-NW-1799          
    2-mercapto-6-purinol
    C5H4N4OS            (Mass of molecular ion:    168)
    

       Source Temperature: 250 °C
       Sample Temperature: 310 °C
       Direct, 75 eV
    

          17.0       1.2
          18.0       5.5
          26.0       1.3
          27.0      10.5
          28.0      21.6
          32.0       4.2
          33.0       1.3
          34.0       1.9
          38.0       3.0
          39.0       2.8
          40.0       1.1
          43.0       2.0
          44.0       5.3
          45.0       1.1
          52.0       1.8
          53.0      15.1
          54.0      43.3
          55.0       4.4
          58.0       2.0
          59.0       8.0
          60.0       6.8
          64.0       1.2
          65.0       1.0
          66.0       1.4
          67.0       1.1
          68.0       1.5
          70.0       5.4
          71.0       2.9
          80.0       4.1
          81.0       6.5
          82.0       4.9
          85.0       1.9
          86.0       4.2
          98.0       1.0
         107.0       1.4
         108.0       1.1
         109.0      24.6
         110.0      45.4
         111.0       2.4
         123.0       2.3
         125.0       1.9
         134.0       1.4
         135.0       7.0
         136.0       1.8
         140.0       2.0
         150.0       3.4
         151.0       5.6
         152.0       1.9
         168.0     100.0
         169.0       7.7
         170.0       5.2
    

KBr disc

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nujol mull

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