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6610-29-3

4-甲基氨基硫脲(6610-29-3)红外图谱(IR2)

产品名称:4-甲基氨基硫脲

CAS:6610-29-3

分子式:C2H7N3S

分子量: 105.16

InChI:InChI=1S/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)

InChIKey: PTVZQOAHCSKAAS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4968          
    4-methyl(thiosemicarbazide)
    C2H7N3S             (Mass of molecular ion:    105)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0      10.2
          16.0       1.1
          17.0       3.5
          18.0       3.7
          27.0       1.2
          28.0      12.0
          29.0       3.3
          30.0      14.1
          31.0       7.7
          32.0     100.0
          33.0       1.0
          42.0       9.8
          43.0       3.1
          45.0       3.9
          46.0       1.2
          47.0       7.2
          48.0       1.0
          55.0       4.2
          56.0       1.3
          57.0       6.2
          59.0       4.9
          60.0       6.4
          62.0       1.9
          72.0       1.5
          73.0       1.8
          74.0      38.9
          75.0       3.8
          76.0       2.1
         105.0      64.3
         106.0       3.1
         107.0       3.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C2 H7 N3 S 0.041 g : 0.5 ml DMSO-d6
    4-methyl(thiosemicarbazide)
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 8.55 B *1 7.81 C 4.42 D 2.898

         Hz     ppm     Int.
    

       3416.87   8.550    243
       3121.46   7.811     82
       1764.53   4.416    580
       1160.89   2.905    977
       1156.25   2.894   1000
       1149.90   2.878     52
    

in DMSO-d6

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KBr disc

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nujol mull

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