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60-56-0

甲巯咪唑(60-56-0)红外图谱(IR1)

产品名称:甲巯咪唑

CAS:60-56-0

分子式:C4H6N2S

分子量: 114.17

InChI:InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)

InChIKey: PMRYVIKBURPHAH-UHFFFAOYSA-N

Smiles:C1(=S)N(C)C=CN1

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    Mass

    MS-NW-7239          
    1-methyl-2-imidazolethiol
    C4H6N2S             (Mass of molecular ion:    114)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       2.0
          18.0       3.6
          26.0       1.5
          27.0       2.2
          28.0       8.4
          29.0       1.3
          30.0       1.1
          40.0       2.7
          41.0       2.9
          42.0      13.9
          44.0       2.0
          45.0       5.2
          46.0       1.4
          52.0       2.0
          53.0       1.2
          54.0       7.4
          55.0       5.3
          56.0       4.2
          57.0       5.6
          58.0       1.9
          59.0       4.2
          60.0       2.1
          68.0       2.4
          69.0      10.8
          70.0       1.3
          71.0       1.4
          72.0      16.8
          73.0       1.5
          74.0       1.5
          79.0       1.3
          81.0       8.6
          82.0       1.5
          86.0       4.1
          99.0       2.2
         113.0      12.3
         114.0     100.0
         115.0       6.7
         116.0       4.8
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H6 N2 S 0.041 g : 0.5 ml CDCl3
    1-methyl-2-imidazolethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.2 B 6.749 C 6.725 D 3.613 J(B,C)=2.4 HZ ASSIGNED BY C-H COSY 90MHZ : HSP-04-901

         Hz     ppm     Int.
    

       2698.41   6.752    187
       2696.21   6.747    261
       2688.33   6.727    263
       2685.95   6.721    177
       1444.27   3.614   1000
    

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    1H NMR 89.56 MHz
    C4 H6 N2 S 0.045 g : 0.5 ml CDCl3
    1-methyl-2-imidazolethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 6.74 C 6.72 D 3.607 J(B,C)=2.4HZ 400MHZ : HSP-44-175

         Hz     ppm     Int.
    

        605.32   6.759     57
        602.93   6.733    302
        602.08   6.723    297
        599.68   6.696     70
        323.17   3.609   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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