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3-ETHYLTHIO-1,2-PROPANEDIOL,97%

产品名称 3-ETHYLTHIO-1,2-PROPANEDIOL,97%

CAS号60763-78-2

分子式C5H12O2S

分子量136.21


  • Mass

    MS-IW-0213          
    3-ethylthio-1,2-propanediol
    C5H12O2S            (Mass of molecular ion:    136)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       6.3
          18.0       2.0
          19.0       3.1
          26.0       2.1
          27.0      20.1
          28.0       9.4
          29.0      39.6
          30.0       1.4
          31.0      16.9
          34.0       1.5
          35.0       7.7
          39.0       1.5
          41.0      11.1
          42.0       6.1
          43.0      26.8
          44.0       6.7
          45.0      14.8
          46.0      20.2
          47.0      66.9
          48.0      39.0
          49.0       5.9
          50.0       1.8
          55.0       2.9
          56.0      15.5
          57.0      60.4
          58.0      15.4
          59.0      75.5
          60.0      14.8
          61.0      72.1
          62.0      36.2
          63.0      14.2
          64.0       1.9
          73.0       4.3
          74.0       8.4
          75.0      82.9
          76.0      33.7
          77.0      68.4
          78.0       3.5
          79.0       3.2
          87.0      10.0
          88.0       1.2
          89.0       7.5
          90.0       4.0
          91.0       1.2
          92.0       1.4
         100.0       2.0
         104.0       2.1
         105.0      76.5
         106.0       4.2
         107.0       3.8
         117.0       4.1
         118.0     100.0
         119.0      10.1
         120.0       5.2
         131.0       1.5
         136.0      18.1
         137.0       1.6
         138.0       1.0
    

400 MHz at 55C


  • 1H NMR 399.65 MHz
    C5 H12 O2 S 0.05 ml : 0.5 ml CDCl3 55 C
    3-ethylthio-1,2-propanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.799 B *1 3.714 C *1 3.56 D 3.55 E 3.28 F *2 2.685 G *2 2.61 J 2.575 K 1.265

         Hz     ppm     Int.
    

       1311.16   3.281     43
       1085.21   2.716    100
       1079.83   2.702    105
       1071.53   2.682    242
       1066.28   2.669    235
       1054.44   2.639    238
       1047.00   2.620    224
       1040.41   2.604    206
       1032.96   2.585    551
       1025.51   2.567    524
       1018.19   2.548    192
        513.06   1.284    531
        505.62   1.266   1000
        500.37   1.253     21
        498.29   1.247    533
    

in CDCl3



liquid film



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