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返回ChemicalBook首页>CAS数据库列表>36157-40-1更多图谱> 2,5-二氯-3-乙酰基噻吩(36157-40-1)核磁图(1HNMR)

36157-40-1

2,5-二氯-3-乙酰基噻吩(36157-40-1)核磁图(1HNMR)

分子式:C6H4Cl2OS

分子量: 195.07

InChI:InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3

InChIKey: GYFDNIRENHZKGR-UHFFFAOYSA-N

Smiles:C(=O)(C1C=C(Cl)SC=1Cl)C

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    Mass

    MS-IW-2645          
    3-acetyl-2,5-dichlorothiophene
    C6H4Cl2OS           (Mass of molecular ion:    194)
    

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

          15.0       3.9
          36.0       1.6
          37.0       4.4
          38.0       1.3
          42.0       2.1
          43.0      49.3
          44.0       2.0
          45.0       4.3
          47.0       1.5
          49.0       1.7
          50.0       1.3
          51.0       1.3
          57.0       2.1
          58.0       1.2
          61.0       1.0
          68.0       1.2
          69.0       4.7
          71.0       1.9
          72.0       4.5
          73.0       4.0
          74.0       1.5
          75.0       1.2
          79.0       6.6
          80.0       1.8
          81.0      15.5
          82.0       2.2
          83.0       1.1
          84.0       2.6
          87.0       1.4
          89.5       2.4
          90.5       1.6
          91.0       1.2
          92.0       1.1
          93.0       1.2
         107.0      15.2
         109.0      10.0
         111.0       1.6
         115.0       2.2
         116.0       9.8
         117.0       3.2
         118.0       3.9
         119.0       1.0
         151.0      15.3
         152.0       3.3
         153.0      10.3
         154.0       2.3
         155.0       2.1
         179.0     100.0
         180.0       6.5
         181.0      69.1
         182.0       4.4
         183.0      13.6
         194.0      43.2
         195.0       3.2
         196.0      29.5
         197.0       2.2
         198.0       5.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H4 Cl2 O S 0.035 g : 0.5 ml CDCl3
    3-acetyl-2,5-dichlorothiophene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.197 B 2.577

         Hz     ppm     Int.
    

       2876.34   7.198    446
       1032.84   2.585     29
       1029.91   2.578   1000
    

in CDCl3

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KBr disc

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nujol mull

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