2,3-DICHLOROTHIOPHENOL(17231-95-7) ¹³C NMR

Product Name2,3-DICHLOROTHIOPHENOL

CAS 17231-95-7

Molecular FormulaC6H4Cl2S

Molecular Weight179.07

InChIInChI=1S/C6H4Cl2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

InChIKey QGRKONUHHGBHRB-UHFFFAOYSA-N

SmilesC1(S)=CC=CC(Cl)=C1Cl

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Mass

MS-NW-9419          
2,3-dichlorobenzenethiol
C6H4Cl2S            (Mass of molecular ion:    178)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      36.0       3.2
      37.0       3.5
      38.0       2.6
      39.0       2.8
      44.0       1.9
      45.0       7.8
      49.0       1.8
      50.0       2.9
      51.0       1.0
      52.5       1.6
      53.0       8.3
      53.5       1.6
      54.0       1.3
      57.0       1.6
      58.0       3.3
      60.0       1.0
      61.0       3.8
      62.0       5.7
      63.0      11.1
      68.0       1.0
      69.0      14.7
      70.0       1.3
      71.0      11.4
      71.5       1.3
      72.0       5.2
      73.0       6.6
      74.0       6.9
      75.0       5.7
      79.0       4.6
      81.0       6.5
      82.0       5.4
      83.0       1.4
      84.0       3.5
      85.0       1.7
      86.0       1.0
      89.0       5.0
      90.0       3.3
      91.0       1.0
      92.0       1.0
      93.0       1.5
      97.0       3.2
      99.0       7.0
     101.0       2.0
     103.0       2.5
     105.0       2.6
     106.0       3.6
     107.0      26.7
     108.0      26.8
     109.0       8.3
     110.0       2.4
     111.0       2.2
     116.0       1.3
     118.0       2.5
     133.0       2.6
     134.0       6.7
     135.0       1.9
     136.0       4.3
     142.0      36.4
     143.0      88.5
     144.0      20.8
     145.0      34.0
     146.0       5.7
     147.0       2.5
     148.0       1.7
     177.0       5.6
     178.0     100.0
     179.0      11.0
     180.0      68.2
     181.0       5.7
     182.0      13.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Cl₂ S	0.027 g : 0.5 ml CDCl₃
2,3-dichlorobenzenethiol

    Assign.     Shift(ppm)

      A             7.23
      B             7.042
      C             4.00

     Hz     ppm     Int.

   2895.87   7.247     85
   2894.41   7.243    701
   2893.19   7.240     99
   2891.85   7.236     35
   2890.14   7.232     23
   2886.84   7.224    786
   2886.47   7.223    793
   2821.78   7.061    314
   2814.09   7.042    296
   2813.48   7.040    286
   2805.91   7.021    208
   1600.22   4.005   1000

in CDCl3