5402-55-1

2-噻吩乙醇(5402-55-1)Raman光谱

产品名称:2-噻吩乙醇

CAS:5402-55-1

分子式:C6H8OS

分子量: 128.19

InChI:InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2

InChIKey: VMJOFTHFJMLIKL-UHFFFAOYSA-N

Smiles:C1(CCO)SC=CC=1

Mass

MS-NW-5586          
2-(2-thienyl)ethanol
C6H8OS              (Mass of molecular ion:    128)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.0
      29.0       1.0
      31.0       3.3
      38.0       1.1
      39.0       5.2
      45.0      12.2
      47.0       1.0
      50.0       1.0
      51.0       1.7
      53.0       8.1
      58.0       2.1
      59.0       1.1
      63.0       1.4
      65.0       2.2
      69.0       2.5
      71.0       1.4
      84.0       1.0
      97.0     100.0
      98.0      15.2
      99.0       5.7
     110.0       1.1
     128.0      32.1
     129.0       2.4
     130.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₈ O S	0.04 ml : 0.5 ml CDCl₃
2-(2-thienyl)ethanol

    Assign.     Shift(ppm)

      A             7.142
      B             6.937
      C             6.86
      D             3.814
      E             3.051
      F             2.02
     
     J(A,B)=5.0HZ. J(A,C)=1.4HZ.

     Hz     ppm     Int.

    643.63   7.187    314
    642.25   7.172    298
    638.63   7.131    595
    637.25   7.116    582
    625.69   6.987    262
    622.25   6.948    493
    620.69   6.931    117
    617.25   6.893    416
    616.69   6.886    218
    615.81   6.876    365
    615.25   6.870    275
    614.44   6.861    353
    613.63   6.852    180
    612.44   6.839    174
    611.56   6.829    119
    611.06   6.823    132
    610.25   6.814     71
    348.88   3.896    361
    348.25   3.889    342
    342.50   3.825    674
    341.94   3.818   1000
    336.13   3.754    527
    335.69   3.749    493
    279.19   3.118    334
    273.44   3.054    442
    272.81   3.047    584
    267.13   2.983    168
    266.50   2.976    255
    179.88   2.009    974

in CDCl3