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534-13-4

N,N'-二甲基硫脲(534-13-4)核磁图(1HNMR)

产品名称:N,N'-二甲基硫脲

CAS:534-13-4

分子式:C3H8N2S

分子量: 104.17

InChI:InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

InChIKey: VLCDUOXHFNUCKK-UHFFFAOYSA-N

Smiles:N(C)C(NC)=S

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    Mass

    MS-NW-8085          
    1,3-dimethylthiourea
    C3H8N2S             (Mass of molecular ion:    104)
    

       Source Temperature: 180 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       7.2
          28.0      11.2
          29.0       1.9
          30.0      65.3
          31.0       4.3
          32.0       3.0
          40.0       1.1
          41.0       1.4
          42.0      12.8
          44.0       3.2
          45.0       4.7
          46.0       1.8
          47.0       6.3
          51.0       1.0
          55.0       2.1
          57.0       7.5
          59.0       4.3
          60.0      11.7
          62.0       2.7
          69.0       1.3
          70.0       1.6
          71.0      20.0
          72.0       4.1
          73.0       4.3
          74.0      38.0
          75.0       5.1
          76.0       2.2
         104.0     100.0
         105.0       9.0
         106.0       4.7
    

parameter in CDCl3

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    1H NMR 300 MHz
    C3 H8 N2 S 0.042 g : 0.5 ml CDCl3
    1,3-dimethylthiourea
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.50 D(B) 3.019 J(A,B) 4.75

         Hz     ppm     Int.
    

       1952.40   6.508    991
       1947.65   6.492   1000
        908.07   3.027   1000
        903.36   3.011    991
    

in CDCl3

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KBr disc

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nujol mull

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