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Back ChemicalBook Home>CAS DataBase List>3172-52-9More Spectrum> 2,5-Dichlorothiophene(3172-52-9) IR1

2,5-Dichlorothiophene(3172-52-9) IR1

Molecular FormulaC4H2Cl2S

Molecular Weight153.03

InChIInChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H

InChIKey FGYBDASKYMSNCX-UHFFFAOYSA-N

SmilesC1(Cl)SC(Cl)=CC=1


  • Mass

    MS-NW-1143          
    2,5-dichlorothiophene
    C4H2Cl2S            (Mass of molecular ion:    152)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.0
          35.0       1.0
          36.0       1.3
          37.0       6.7
          38.0       4.9
          41.0       1.4
          44.0       3.1
          45.0      10.1
          47.0       3.0
          49.0       1.9
          50.0       1.3
          56.0       1.5
          57.0       9.8
          58.0       3.7
          59.0       1.6
          60.0       1.4
          68.0       1.3
          69.0      10.3
          71.0       1.2
          72.0       2.5
          73.0      36.6
          74.0       1.8
          75.0      11.4
          76.0       3.6
          77.0       2.2
          79.0      16.6
          80.0       1.5
          81.0       9.8
          82.0       6.7
          83.0       1.1
          84.0       1.3
          91.0       1.2
          92.0      10.0
          94.0       3.6
         107.0       2.3
         109.0       1.4
         116.0       2.9
         117.0      26.5
         118.0       2.8
         119.0       9.9
         152.0     100.0
         153.0       5.8
         154.0      67.5
         155.0       3.6
         156.0      12.8
         186.0       1.1
    

parameter in CDCl3

parameter in TMS


  • 1H NMR 300 MHz
    C4 H2 Cl2 S 0.02 ml : 0.5 ml CDCl3
    2,5-dichlorothiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.689

         Hz     ppm     Int.
    

       2006.70   6.689   1000
    


  • 1H NMR 300 MHz
    C4 H2 Cl2 S in TMS
    2,5-dichlorothiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.572 READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965) J(A,C-13):173.95HZ. J(A,A):3.92HZ.

         Hz     ppm     Int.
    

       1971.60   6.572   1000
    

in CDCl3



liquid film





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