542-81-4

2-氯乙基甲基硫醚(542-81-4)核磁图(¹³CNMR)

产品名称:2-氯乙基甲基硫醚

CAS:542-81-4

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

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

¹H NMR	89.56 MHz
C₃ H₇ Cl S	0.04 ml : 0.5 ml CDCl₃
2-chloroethyl methyl sulfide

    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