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1801-62-3

1,3-二甲基-2-硫代乙内酰脲(1801-62-3)核磁图(13CNMR)

分子式:C5H8N2OS

分子量: 144.19

InChI:InChI=1S/C5H8N2OS/c1-6-3-4(8)7(2)5(6)9/h3H2,1-2H3

InChIKey: GKWNLFPHQCFFQJ-UHFFFAOYSA-N

Smiles:C1(=S)N(C)CC(=O)N1C

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    Mass

    MS-IW-9536          
    1,3-dimethyl-2-thioxo-4-imidazolidinone
    C5H8N2OS            (Mass of molecular ion:    144)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       5.5
          28.0       3.4
          30.0       3.2
          40.0       1.5
          41.0       2.7
          42.0      27.9
          43.0      26.1
          44.0      36.1
          45.0       4.9
          46.0       1.7
          57.0       1.2
          58.0       1.2
          69.0       7.3
          70.0       2.2
          71.0       1.1
          72.0       9.9
          73.0      10.7
          74.0      15.3
          75.0       1.5
          84.0       1.5
          87.0       2.0
          88.0       3.3
          89.0       3.2
         115.0       1.6
         116.0       3.4
         144.0     100.0
         145.0       8.1
         146.0       4.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H8 N2 O S 0.038 g : 0.5 ml CDCl3
    1,3-dimethyl-2-thioxo-4-imidazolidinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.053 B 3.347 C 3.242

         Hz     ppm     Int.
    

       1620.00   4.054    461
       1337.77   3.348    725
       1295.90   3.243   1000
    

in CDCl3

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KBr disc

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nujol mull

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