13679-73-7

2-乙酰-4-甲基噻吩(13679-73-7)核磁图(¹³CNMR)

产品名称:2-乙酰-4-甲基噻吩

CAS:13679-73-7

分子式:C7H8OS

分子量: 140.2

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

InChIKey: NFZNHUNPIJPRMP-UHFFFAOYSA-N

Smiles:C(=O)(C1SC=C(C)C=1)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7536          
2-acetyl-4-methylthiophene
C7H8OS              (Mass of molecular ion:    140)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       3.9
      27.0       4.3
      37.0       1.2
      38.0       2.1
      39.0       6.6
      42.0       1.0
      43.0      13.6
      45.0      16.2
      47.0       1.4
      50.0       2.3
      51.0       3.5
      52.0       1.3
      53.0      17.9
      57.0       2.9
      58.0       1.5
      62.0       1.7
      63.0       1.6
      69.0       6.0
      70.0       2.1
      71.0       2.8
      82.0       1.6
      95.0       1.7
      96.0       1.2
      97.0      18.2
      98.0       1.4
     125.0     100.0
     126.0       7.7
     127.0       5.0
     140.0      40.6
     141.0       3.9
     142.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ O S	0.05 ml : 0.5 ml CDCl₃
2-acetyl-4-methylthiophene

    Assign.     Shift(ppm)

      A             7.487
      B             7.211
      C             2.505
      D             2.272

     Hz     ppm     Int.

    671.63   7.500     93
    671.25   7.495     95
    670.19   7.484    107
    669.81   7.479     98
    647.88   7.235     33
    646.94   7.224     80
    645.94   7.213     96
    644.56   7.197     71
    643.63   7.187     30
    227.31   2.539     39
    224.44   2.507   1000
    204.13   2.280    360
    203.69   2.275    370
    203.13   2.269    377

in CDCl3