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13183-79-4

1-甲基-5-巯基-1H-四氮唑(13183-79-4)红外图谱(IR1)

分子式:C2H4N4S

分子量: 116.14

InChI:InChI=1S/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)

InChIKey: XOHZHMUQBFJTNH-UHFFFAOYSA-N

Smiles:N1(C)C(=S)N=NN1

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    Mass

    MS-IW-4201          
    1-methyl-1H-tetrazole-5-thiol
    C2H4N4S             (Mass of molecular ion:    116)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       4.7
          18.0       1.1
          27.0       1.3
          28.0      13.4
          29.0       1.9
          42.0       5.4
          43.0       4.6
          44.0       3.2
          45.0       2.6
          46.0       3.0
          47.0       2.5
          53.0       1.6
          55.0      15.2
          56.0       7.6
          57.0       1.1
          58.0       2.0
          59.0       3.2
          60.0       3.6
          61.0       2.3
          72.0       5.3
          73.0      21.6
          74.0       1.1
          75.0       1.0
         116.0     100.0
         117.0       5.0
         118.0       4.7
    

400 MHz at 30C

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    1H NMR 399.65 MHz
    C2 H4 N4 S 0.040 g : 0.5 ml CDCl3 at 30C
    1-methyl-1H-tetrazole-5-thiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.8 B 3.947

         Hz     ppm     Int.
    

       1577.76   3.948   1000
    

in CDCl3

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KBr disc

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nujol mull

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