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504-17-6

4,6-二羟基-2-巯基嘧啶(504-17-6)质谱(MS)

分子式:C4H4N2O2S

分子量: 144.15

InChI:InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)

InChIKey: RVBUGGBMJDPOST-UHFFFAOYSA-N

Smiles:C1(=S)NC(=O)CC(=O)N1

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    Mass

    MS-NW-0274          
    2-thiobarbituric acid
    C4H4N2O2S           (Mass of molecular ion:    144)
    

       Source Temperature: 160 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          14.0       2.0
          17.0       1.7
          18.0       9.0
          27.0       1.4
          28.0       4.5
          29.0       1.3
          32.0       3.0
          40.0       1.3
          41.0       5.1
          42.0      42.7
          43.0      40.1
          44.0       2.4
          45.0       1.1
          46.0       2.8
          47.0       2.8
          55.0       3.0
          56.0       4.5
          57.0       3.0
          58.0       2.0
          59.0      23.9
          60.0       4.8
          61.0       1.1
          68.0       1.1
          69.0      25.9
          70.0       1.0
          71.0       1.5
          73.0       1.5
          74.0       2.4
          76.0       2.8
          81.0       1.4
          83.0       1.6
          84.0       4.0
          85.0       1.0
          86.0       1.6
          97.0       1.2
         101.0       1.1
         112.0       2.3
         116.0      32.8
         117.0       1.7
         118.0       1.6
         144.0     100.0
         145.0       6.1
         146.0       5.0
    

DMSO-d6

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KBr disc

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nujol mull

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