2-Chlorothiophene(96-43-5) ¹³C NMR

Product Name2-Chlorothiophene

CAS 96-43-5

Molecular FormulaC4H3ClS

Molecular Weight118.58

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

InChIKey GSFNQBFZFXUTBN-UHFFFAOYSA-N

SmilesC1(Cl)SC=CC=1

Request For Quotation

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

¹H NMR	300 MHz
C₄ H₃ Cl S	in TMS
2-chlorothiophene

    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