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3140-93-0

2,3-二溴噻吩(3140-93-0)核磁图(13CNMR)

产品名称:2,3-二溴噻吩

CAS:3140-93-0

分子式:C4H2Br2S

分子量: 241.93

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

InChIKey: ATRJNSFQBYKFSM-UHFFFAOYSA-N

Smiles:C1(Br)SC=CC=1Br

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    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

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    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
    

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    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

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liquid film

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