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96-43-5

2-氯噻吩(96-43-5)质谱(MS)

产品名称:2-氯噻吩

CAS:96-43-5

分子式:C4H3ClS

分子量: 118.58

InChI:InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H

InChIKey: GSFNQBFZFXUTBN-UHFFFAOYSA-N

Smiles:C1(Cl)SC=CC=1

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    Mass

    MS-NW-1141          
    2-chlorothiophene
    C4H3ClS             (Mass of molecular ion:    118)
    

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

          26.0       1.2
          28.0       1.4
          36.0       1.0
          37.0       5.0
          38.0       5.8
          39.0      23.4
          41.0       4.2
          44.0       2.2
          45.0      26.6
          47.0       2.2
          49.0       1.9
          50.0       2.9
          56.0       1.3
          57.0      11.0
          58.0      14.2
          59.0       3.2
          60.0       2.4
          69.0       3.7
          73.0      10.3
          75.0       3.5
          79.0       7.6
          81.0       5.5
          82.0       4.9
          83.0      53.3
          84.0       3.7
          85.0       2.8
          92.0       3.5
          94.0       1.3
         117.0       1.6
         118.0     100.0
         119.0       5.7
         120.0      36.7
         121.0       2.0
         122.0       1.4
         152.0       4.0
         154.0       2.7
    

parameter in TMS

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    1H NMR 300 MHz
    C4 H3 Cl S in TMS
    2-chlorothiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.787 D(B) 6.742 D(C) 6.918 J(A,B) 3.71 J(A,C) 1.48 J(B,C) 5.60 READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965) J(A,C-13):171.54HZ. J(B,C-13):169.77HZ. J(C,C-13):188.26HZ.

         Hz     ppm     Int.
    

       2079.10   6.930    624
       2077.53   6.925    669
       2073.60   6.912    764
       2072.03   6.907    821
       2038.98   6.797    517
       2037.41   6.791    577
       2035.27   6.784   1000
       2033.70   6.779    848
       2026.80   6.756    987
       2023.09   6.744    567
       2021.31   6.738    780
       2017.60   6.725    478
    

in CDCl3

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liquid film

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