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Back ChemicalBook Home>CAS DataBase List>3140-93-0More Spectrum> 2,3-Dibromothiophene(3140-93-0) 13C NMR

2,3-Dibromothiophene(3140-93-0) 13C NMR

Molecular FormulaC4H2Br2S

Molecular Weight241.93

InChIInChI=1S/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H

InChIKey ATRJNSFQBYKFSM-UHFFFAOYSA-N

SmilesC1(Br)SC=CC=1Br


  • Mass

    MS-NW-0985          
    2,3-dibromothiophene
    C4H2Br2S            (Mass of molecular ion:    240)
    

       Source Temperature: 240 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          28.0       1.3
          32.0       1.0
          37.0       7.1
          38.0       7.3
          44.0       1.7
          45.0      17.3
          49.0       2.2
          50.0       1.6
          69.0       1.4
          79.0       2.1
          80.0       1.8
          81.0       9.0
          82.0      41.9
          83.0       2.4
          84.0       1.6
         116.0       1.5
         117.0       8.7
         118.0       1.9
         119.0       8.3
         120.0       1.7
         121.0       2.6
         122.0       1.3
         123.0       1.0
         135.0       2.6
         137.0       2.9
         161.0      18.3
         162.0       1.8
         163.0      18.5
         164.0       1.2
         195.0       1.0
         197.0       1.9
         199.0       1.1
         240.0      50.2
         241.0       2.7
         242.0     100.0
         243.0       5.5
         244.0      52.2
         245.0       2.8
         246.0       2.3
    

parameter in cyclohexane

parameter in CDCl3


  • 1H NMR 300 MHz
    C4 H2 Br2 S 7.9 mol% in cyclohexane
    2,3-dibromothiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.77 D(B) 7.06 J(A,B) 5.75 TAKAHASHI,K. ET AL. BULL.CHEM.SOC.JPN. 38, 1041 (1965)

         Hz     ppm     Int.
    

       2120.97   7.070    877
       2115.22   7.051   1000
       2033.78   6.779   1000
       2028.03   6.760    877
    


  • 1H NMR 300 MHz
    C4 H2 Br2 S 0.02 ml : 0.5 ml CDCl3
    2,3-dibromothiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.248 D(B) 6.907 J(A,B) 5.83

         Hz     ppm     Int.
    

       2177.40   7.258    893
       2171.57   7.239   1000
       2074.93   6.916   1000
       2069.11   6.897    893
    

in CDCl3



liquid film



2,3-Dibromothiophene(3140-93-0) 13C NMR Atlas of Related Products

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