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542-81-4

2-氯乙基甲基硫醚(542-81-4)核磁图(13CNMR)

分子式:C3H7ClS

分子量: 110.61

InChI:InChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3

InChIKey: MYFKLQFBFSHBPA-UHFFFAOYSA-N

Smiles:C(Cl)CSC

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    Mass

    MS-NW-4006          
    2-chloroethyl methyl sulfide
    C3H7ClS             (Mass of molecular ion:    110)
    

       Source Temperature: 290 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.3
          26.0       2.8
          27.0      19.3
          28.0       2.1
          35.0       9.6
          41.0       6.5
          45.0      12.7
          46.0       6.4
          47.0      15.8
          48.0       9.7
          49.0       5.6
          50.0       1.0
          57.0       1.2
          58.0       3.1
          59.0       6.2
          60.0       2.1
          61.0     100.0
          62.0       3.7
          63.0      10.5
          65.0       1.9
          74.0       1.3
          75.0       8.0
         110.0      29.5
         111.0       1.5
         112.0      11.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H7 Cl S 0.04 ml : 0.5 ml CDCl3
    2-chloroethyl methyl sulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.68 B *1 3.62 C *2 2.87 D *2 2.80 E 2.159

         Hz     ppm     Int.
    

        335.50   3.747    102
        334.69   3.738    117
        331.00   3.696     29
        328.00   3.663    216
        327.31   3.655    136
        325.81   3.638    126
        322.81   3.605     37
        319.81   3.571    160
        319.19   3.564    170
        261.81   2.924    116
        261.25   2.918    123
        258.19   2.883     27
        255.19   2.850     77
        253.63   2.832     97
        253.00   2.825    161
        250.00   2.792     23
        246.31   2.751     77
        245.50   2.742     79
        193.44   2.160   1000
    

in CDCl3

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liquid film

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