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网站主页CAS数据库列表 51527-18-5更多图谱2-乙酰基-5-氯-3-甲基苯并[B]噻吩(51527-18-5)核磁图(13CNMR)

2-乙酰基-5-氯-3-甲基苯并[B]噻吩

产品名称 2-乙酰基-5-氯-3-甲基苯并[B]噻吩

CAS号51527-18-5

分子式C11H9ClOS

分子量224.71

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  • Mass

    MS-IW-2761          
    2-acetyl-5-chloro-3-methylbenzo(b)thiophene
    C11H9ClOS           (Mass of molecular ion:    224)
    

       Source Temperature: 190 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          31.0       1.0
          39.0       1.2
          43.0      10.4
          45.0       4.9
          50.0       1.2
          51.0       1.9
          62.0       1.2
          63.0       2.2
          69.0       5.0
          70.0       1.0
          72.0       1.1
          72.5       1.9
          73.0       2.7
          74.0       2.3
          75.0       3.4
          86.0       1.0
          87.0       1.7
          90.5       1.5
          93.0       1.7
          99.0       1.1
         101.0       4.3
         102.0       7.4
         103.0       1.0
         104.5       2.0
         112.0       2.0
         113.0       1.5
         115.0       1.5
         136.0       1.5
         137.0       1.8
         145.0      10.2
         146.0       7.9
         147.0       2.6
         149.0       2.7
         179.0       1.7
         180.0       1.0
         181.0      21.2
         182.0       2.7
         183.0       7.7
         209.0     100.0
         210.0      12.0
         211.0      36.7
         212.0       4.4
         213.0       1.7
         224.0      49.2
         225.0       6.6
         226.0      18.5
         227.0       2.4
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C11 H9 Cl O S 0.039 g : 0.5 ml DMSO-d6
    2-acetyl-5-chloro-3-methylbenzo(b)thiophene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.04 B 8.03 C 7.544 D 2.667 E 2.627

         Hz     ppm     Int.
    

       3213.75   8.042    154
       3211.30   8.036    227
       3202.64   8.014    157
       3202.15   8.013    158
       3020.51   7.558    106
       3018.43   7.553    104
       3011.84   7.537    100
       3009.77   7.532     99
       1066.04   2.668    890
       1052.98   2.635     43
       1050.17   2.628   1000
    

in DMSO-d6



KBr disc



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