5271-38-5

2-甲硫基乙醇(5271-38-5)核磁图(¹³CNMR)

产品名称:2-甲硫基乙醇

CAS:5271-38-5

分子式:C3H8OS

分子量: 92.16

InChI:InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3

InChIKey: WBBPRCNXBQTYLF-UHFFFAOYSA-N

Smiles:C(O)CSC

Mass

MS-NW-2825          
2-(methylthio)ethanol
C3H8OS              (Mass of molecular ion:     92)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.5
      19.0       1.2
      26.0       1.3
      27.0      15.0
      28.0       5.1
      29.0       4.5
      31.0       7.5
      32.0       1.2
      35.0      14.8
      41.0       2.0
      42.0       1.4
      43.0       8.1
      44.0      10.8
      45.0      15.9
      46.0      12.6
      47.0      22.3
      48.0       9.0
      49.0       8.0
      58.0       2.2
      59.0       4.6
      60.0       1.1
      61.0     100.0
      62.0      11.4
      63.0       4.9
      74.0       2.4
      75.0       2.3
      92.0      51.2
      93.0       2.3
      94.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₈ O S	0.05 ml : 0.5 ml CDCl₃
2-(methylthio)ethanol

    Assign.     Shift(ppm)

      A             3.745
      B             3.03
      C             2.700
      D             2.123

     Hz     ppm     Int.

    342.00   3.819     87
    335.81   3.750    181
    329.69   3.682    111
    271.50   3.032    105
    247.56   2.765    116
    241.56   2.698    221
    235.38   2.629     92
    190.13   2.123   1000

in CDCl3