18781-31-2

2-乙酰-3-甲基苯并[B]噻吩(18781-31-2)红外图谱(IR1)

产品名称:2-乙酰-3-甲基苯并[B]噻吩

CAS:18781-31-2

分子式:C11H10OS

分子量: 190.26

InChI:InChI=1S/C11H10OS/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3

InChIKey: HBTQKSGOEOVCBN-UHFFFAOYSA-N

Smiles:C(=O)(C1SC2=CC=CC=C2C=1C)C

Mass

MS-IW-2763          
2-acetyl-3-methylbenzo(b)thiophene
C11H10OS            (Mass of molecular ion:    190)

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

      39.0       1.8
      43.0       4.4
      45.0       5.6
      50.0       1.1
      51.0       2.4
      63.0       2.3
      69.0       5.7
      73.5       1.7
      74.0       1.2
      75.0       1.5
      76.0       1.1
      77.0       6.3
      87.5       1.8
      89.0       1.1
      93.0       1.0
      95.0       1.7
     101.0       1.0
     102.0       4.5
     103.0       7.8
     115.0       5.2
     121.0       2.0
     128.0       1.2
     145.0       3.6
     146.0       1.9
     147.0      30.5
     148.0       3.5
     149.0       1.6
     175.0     100.0
     176.0      11.7
     177.0       5.3
     190.0      49.7
     191.0       6.4
     192.0       2.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₀ O S	0.051 g : 0.5 ml DMSO-d₆
2-acetyl-3-methylbenzo(b)thiophene

    Assign.     Shift(ppm)

      A             7.99
      B             7.98
      C             7.550
      D             7.488
      E             2.693
      F             2.617

     Hz     ppm     Int.

   3201.29   8.011     73
   3200.56   8.009     98
   3200.07   8.008     91
   3199.46   8.006     74
   3193.97   7.992     93
   3192.63   7.989    245
   3191.41   7.986     94
   3185.79   7.972     84
   3185.18   7.970     93
   3184.57   7.969     95
   3183.84   7.967     69
   3026.25   7.573     49
   3024.78   7.569     41
   3019.17   7.555     87
   3017.94   7.552     86
   3016.97   7.550     50
   3011.23   7.535     78
   3009.89   7.532     70
   2999.63   7.506     85
   2998.41   7.503     88
   2992.55   7.488     63
   2991.58   7.486     92
   2990.36   7.483     83
   2984.62   7.469     44
   2983.28   7.465     48
   1076.29   2.694    937
   1046.02   2.618   1000
   1042.85   2.610     34

in DMSO-d6