1-(5-Methyl-2-thienyl)ethan-1-one(13679-74-8) IR1

Product Name1-(5-Methyl-2-thienyl)ethan-1-one

CAS 13679-74-8

Molecular FormulaC7H8OS

Molecular Weight140.2

InChIInChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3

InChIKey YOSDTJYMDAEEAZ-UHFFFAOYSA-N

SmilesC(=O)(C1SC(C)=CC=1)C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2616          
2-acetyl-5-methylthiophene
C7H8OS              (Mass of molecular ion:    140)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.2
      27.0       2.8
      38.0       1.3
      39.0       3.9
      43.0      10.2
      45.0      10.1
      50.0       1.6
      51.0       2.9
      52.0       1.1
      53.0      24.8
      54.0       1.1
      57.0       2.0
      58.0       1.8
      59.0       2.6
      62.0       1.1
      63.0       1.4
      69.0       4.9
      70.0       2.5
      71.0       2.2
      82.0       1.2
      95.0       1.9
      96.0       1.4
      97.0      15.1
      98.0       1.1
     125.0     100.0
     126.0       7.7
     127.0       5.1
     140.0      43.9
     141.0       3.8
     142.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₈ O S	0.05 ml : 0.5 ml CDCl₃
2-acetyl-5-methylthiophene

    Assign.     Shift(ppm)

      A             7.506
      B             6.787
      C             2.509
      D             2.481
     
     J(A,B)=3.8HZ
     J(B,D)=1.0HZ

     Hz     ppm     Int.

   3001.59   7.511    250
   2997.80   7.502    251
   2715.21   6.794    139
   2714.36   6.792    207
   2713.38   6.790    170
   2712.40   6.787     95
   2711.55   6.785    135
   2710.57   6.783    197
   2709.59   6.780    160
   1012.08   2.533     21
   1002.56   2.509    881
    992.07   2.483    993
    991.21   2.481   1000

in CDCl3