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3268-49-3

3-甲硫基丙醛(3268-49-3)Raman光谱

产品名称:3-甲硫基丙醛

CAS:3268-49-3

分子式:C4H8OS

分子量: 104.17

InChI:InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3

InChIKey: CLUWOWRTHNNBBU-UHFFFAOYSA-N

Smiles:C(=O)CCSC

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    Mass

    MS-IW-9178          
    3-(methylthio)propionaldehyde
    C4H8OS              (Mass of molecular ion:    104)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.9
          25.0       1.2
          26.0       9.3
          27.0      32.7
          28.0      13.1
          29.0      21.7
          31.0       1.3
          32.0       1.1
          33.0       1.1
          35.0      10.3
          37.0       1.3
          38.0       1.1
          39.0       2.7
          41.0      10.6
          44.0       2.8
          45.0      26.0
          46.0       9.3
          47.0      48.5
          48.0     100.0
          49.0      11.1
          50.0       4.5
          53.0       1.1
          55.0       8.5
          56.0      10.1
          57.0       7.5
          58.0       3.8
          59.0       6.4
          60.0       2.8
          61.0      27.9
          62.0       1.0
          63.0       1.3
          75.0       4.0
          76.0      29.1
          77.0       1.4
          78.0       1.3
          89.0       1.1
         104.0      35.5
         105.0       2.1
         106.0       1.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H8 O S 0.05 ml : 0.5 ml CDCl3
    3-(methylthio)propionaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.782 B 2.787 C 2.776 D 2.126

         Hz     ppm     Int.
    

       3910.83   9.786    165
       3909.61   9.783    270
       3908.23   9.780    142
       1125.18   2.816     27
       1123.20   2.811     21
       1122.28   2.809     26
       1120.15   2.803     64
       1118.77   2.800     26
       1114.04   2.788    366
       1110.84   2.780    435
       1108.55   2.774    248
       1106.87   2.770    207
       1105.50   2.767    215
       1100.77   2.755     41
       1099.24   2.751     40
       1097.26   2.746     21
        859.68   2.152     22
        854.95   2.140     39
        849.61   2.126   1000
    

in CDCl3

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