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返回ChemicalBook首页>CAS数据库列表>615-76-9更多图谱> 6-氮杂-2-硫代胸腺嘧啶(615-76-9)核磁图(1HNMR)

615-76-9

6-氮杂-2-硫代胸腺嘧啶(615-76-9)核磁图(1HNMR)

分子式:C4H5N3OS

分子量: 143.17

InChI:InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)

InChIKey: NKOPQOSBROLOFP-UHFFFAOYSA-N

Smiles:N1=C(C)C(=O)NC(=S)N1

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    Mass

    MS-NW-7962          
    6-aza-2-thiothymine
    C4H5N3OS            (Mass of molecular ion:    143)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       3.0
          17.0       1.6
          18.0       6.9
          26.0       6.5
          27.0      14.4
          28.0       7.2
          29.0       4.4
          32.0       4.2
          33.0       1.2
          40.0       2.5
          41.0       4.1
          42.0      13.3
          43.0       1.3
          44.0       1.3
          46.0       2.1
          47.0       4.7
          50.0       1.3
          53.0       2.0
          54.0       1.5
          55.0       4.7
          56.0      51.6
          57.0       6.7
          58.0       2.2
          59.0      12.2
          60.0      12.0
          69.0       5.8
          74.0       1.5
          82.0       1.3
          83.0       1.9
          84.0       1.9
          85.0       6.0
          86.0       1.3
         143.0     100.0
         144.0       7.0
         145.0       5.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H5 N3 O S 0.038 g : 0.5 ml DMSO-d6
    6-aza-2-thiothymine
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 13.28 B *1 13.04 C 2.091

         Hz     ppm     Int.
    

       5308.55  13.284     58
       5211.96  13.042     38
        835.72   2.092   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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