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53475-15-3

3-甲巯基-2-丁酮(53475-15-3)质谱(MS)

产品名称:3-甲巯基-2-丁酮

CAS:53475-15-3

分子式:C5H10OS

分子量: 118.2

InChI:InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3

InChIKey: HFVLNCDRAMUMCC-UHFFFAOYSA-N

Smiles:CC(=O)C(SC)C

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    Mass

    MS-IW-5087          
    3-methylthio-2-butanone
    C5H10OS             (Mass of molecular ion:    118)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.2
          27.0       4.7
          28.0       1.4
          29.0       2.1
          39.0       1.6
          41.0      28.8
          42.0       2.4
          43.0      25.2
          44.0       1.0
          45.0       6.3
          46.0       2.5
          47.0      26.9
          48.0       3.3
          49.0       7.8
          53.0       1.1
          55.0       4.0
          57.0       1.5
          58.0       1.4
          59.0       6.4
          60.0       2.1
          61.0       3.0
          70.0       1.5
          71.0       1.0
          72.0       1.3
          74.0       3.9
          75.0     100.0
          76.0       5.3
          77.0       5.5
         118.0      34.4
         119.0       2.3
         120.0       1.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H10 O S 0.05 ml : 0.5 ml CDCl3
    3-methylthio-2-butanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.338 B 2.289 C 1.960 D 1.370

         Hz     ppm     Int.
    

       1344.85   3.366     48
       1337.89   3.348    140
       1330.81   3.330    141
       1323.85   3.313     50
        914.92   2.290    875
        783.33   1.961   1000
        551.03   1.379    650
        544.07   1.362    622
    

in CDCl3

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liquid film

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