1795-01-3

3-Ethylthiophene(1795-01-3) IR1

Product Name3-Ethylthiophene

CAS 1795-01-3

Molecular FormulaC6H8S

Molecular Weight112.19

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

InChIKey SLDBAXYJAIRQMX-UHFFFAOYSA-N

SmilesC1SC=CC=1CC

Request For Quotation

¹HNMR

¹³CNMR

IR1

3-Ethylthiophene(1795-01-3) 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

3-Ethylthiophene(1795-01-3) IR1

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