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返回ChemicalBook首页>CAS数据库列表>18781-31-2更多图谱> 2-乙酰-3-甲基苯并[B]噻吩(18781-31-2)红外图谱(IR1)

18781-31-2

2-乙酰-3-甲基苯并[B]噻吩(18781-31-2)红外图谱(IR1)

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

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    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

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

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KBr disc

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nujol mull

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