1795-01-3

3-乙基噻吩(1795-01-3)核磁图(¹HNMR)

产品名称:3-乙基噻吩

CAS:1795-01-3

分子式:C6H8S

分子量: 112.19

InChI:InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3

InChIKey: SLDBAXYJAIRQMX-UHFFFAOYSA-N

Smiles:C1SC=CC=1CC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6623          
3-ethylthiophene
C6H8S               (Mass of molecular ion:    112)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       3.5
      38.0       1.8
      39.0       7.6
      41.0       1.7
      45.0      15.0
      47.0       1.0
      50.0       2.1
      51.0       2.9
      53.0       6.0
      57.0       1.6
      58.0       3.1
      59.0       1.0
      63.0       1.2
      65.0       2.0
      67.0       2.0
      69.0       2.9
      70.0       1.0
      71.0       1.8
      77.0       3.7
      78.0       1.5
      81.0       1.0
      82.0       1.1
      84.0       3.8
      85.0       2.5
      97.0     100.0
      98.0       6.5
      99.0       4.7
     109.0       1.2
     111.0       8.4
     112.0      46.5
     113.0       4.0
     114.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₈ S	0.05 ml : 0.5 ml CDCl₃
3-ethylthiophene

    Assign.     Shift(ppm)

      A             7.185
      B             6.91
      C             6.89
      D             2.639
      E             1.223
     
     J(A,B)=4.9HZ
     J(A,C)=2.9HZ

     Hz     ppm     Int.

    647.88   7.235    137
    645.00   7.202    172
    643.00   7.180    209
    640.06   7.147    240
    622.31   6.949    179
    621.00   6.934    308
    619.25   6.915    182
    618.25   6.904    284
    616.94   6.889    300
    616.06   6.879    360
    614.38   6.860    160
    613.06   6.846     76
    247.75   2.767     86
    240.31   2.684    266
    237.19   2.649     38
    232.75   2.599    295
    225.19   2.515    115
    116.94   1.306    513
    109.56   1.224   1000
    101.88   1.138    398

in CDCl3