3-Acetylthiophene(1468-83-3) ¹H NMR

Product Name3-Acetylthiophene

CAS 1468-83-3

Molecular FormulaC6H6OS

Molecular Weight126.18

InChIInChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3

InChIKey RNIDWJDZNNVFDY-UHFFFAOYSA-N

SmilesC(=O)(C1C=CSC=1)C

Request For Quotation

Mass

MS-NW-8675          
3-acetylthiophene
C6H6OS              (Mass of molecular ion:    126)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       2.3
      28.0       3.8
      32.0       1.0
      37.0       1.3
      38.0       2.6
      39.0      22.1
      43.0      15.4
      45.0       7.0
      50.0       1.8
      51.0       1.1
      53.0       1.2
      55.5       1.2
      57.0       2.4
      58.0       2.0
      69.0       1.3
      81.0       2.3
      82.0       2.6
      83.0      23.1
      84.0       2.8
      85.0       1.2
     111.0     100.0
     112.0       6.2
     113.0       4.8
     126.0      39.9
     127.0       3.0
     128.0       1.9

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₆ O S	0.033 g : 0.5 ml CDCl₃
3-acetylthiophene

    Parameter     ppm  Hz

      D(A)         8.046
      D(B)         7.543
      D(C)         7.315
       J(A,B)          1.22
       J(A,C)          2.93
       J(B,C)          5.13
     
      D(D)         2.536

     Hz     ppm     Int.

   2415.90   8.053     91
   2414.72   8.049     95
   2412.94   8.043     96
   2411.76   8.039     95
   2266.19   7.554     85
   2265.02   7.550     85
   2261.04   7.537     99
   2259.86   7.533     97
   2198.43   7.328     93
   2195.52   7.318     92
   2193.32   7.311     82
   2190.42   7.301     78
    760.79   2.536   1000

in CDCl3