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513-44-0

异丁硫醇(513-44-0)核磁图(13CNMR)

产品名称:异丁硫醇

CAS:513-44-0

分子式:C4H10S

分子量: 90.19

InChI:InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3

InChIKey: BDFAOUQQXJIZDG-UHFFFAOYSA-N

Smiles:C(S)C(C)C

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    Mass

    MS-NW-3789          
    2-methyl-1-propanethiol
    C4H10S              (Mass of molecular ion:     90)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.6
          18.0       1.4
          26.0       1.6
          27.0      27.4
          28.0       4.7
          29.0      24.1
          32.0       1.9
          33.0       1.0
          34.0       1.0
          37.0       1.3
          38.0       2.7
          39.0      22.1
          40.0       4.0
          41.0     100.0
          42.0      12.5
          43.0      87.9
          44.0       3.1
          45.0      11.2
          46.0      12.1
          47.0      37.6
          48.0      33.9
          49.0      10.4
          50.0       2.4
          51.0       1.2
          53.0       2.0
          55.0      11.1
          56.0      71.1
          57.0      36.1
          58.0       1.7
          59.0       2.4
          61.0       2.2
          71.0       1.2
          73.0       1.0
          75.0       6.9
          76.0       1.2
          89.0       1.0
          90.0      64.5
          91.0       3.6
          92.0       2.9
         178.0       1.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H10 S 0.04 ml : 0.5 ml CDCl3
    2-methyl-1-propanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.410 B 1.74 C 1.271 D 0.983

         Hz     ppm     Int.
    

        224.19   2.504    119
        223.50   2.496    147
        217.56   2.430    317
        215.63   2.408    277
        209.69   2.342    181
        209.13   2.336    202
        168.69   1.884     26
        162.44   1.814     35
        161.88   1.808     33
        155.56   1.737     52
        149.25   1.667     47
        142.75   1.594     36
        121.25   1.354    168
        113.31   1.266    151
        112.81   1.260    162
        105.06   1.174    116
         92.56   1.034     24
         90.75   1.014   1000
         86.19   0.963     26
         84.44   0.943    714
    

in CDCl3

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liquid film

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