1,3-Dihydrobenzo[c]thiophene 2,2-dioxide(2471-91-2) ¹H NMR

Product Name1,3-Dihydrobenzo[c]thiophene 2,2-dioxide

CAS 2471-91-2

Molecular FormulaC8H8O2S

Molecular Weight168.21

InChIInChI=1S/C8H8O2S/c9-11(10)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2

InChIKey RBXWSNGDUIKIQJ-UHFFFAOYSA-N

SmilesC1S(=O)(=O)CC2=CC=CC=C12

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¹HNMR

¹³CNMR

Mass

MS-KW-1134          
1,3-dihydrobenzo(c)thiophene 2,2-dioxide
C8H8O2S             (Mass of molecular ion:    168)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      27.0       1.9
      28.0       1.2
      38.0       1.4
      39.0       6.4
      45.0       1.0
      50.0       5.0
      51.0      20.7
      51.5       1.4
      52.0       8.8
      62.0       1.6
      63.0       4.9
      64.0       1.1
      65.0       2.1
      74.0       1.5
      75.0       1.4
      76.0       2.2
      77.0      10.0
      78.0      23.3
      79.0       1.6
      89.0       1.7
      91.0       1.6
     102.0       2.8
     103.0      18.6
     104.0     100.0
     105.0       8.8
     168.0      19.5
     169.0       2.0
     170.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₈ O₂ S	24 mg : 0.5 ml CDCl₃
1,3-dihydrobenzo(c)thiophene 2,2-dioxide

    Assign.     Shift(ppm)

      A             7.358
      B             7.305
      C             4.360

     Hz     ppm     Int.

   2946.78   7.374    122
   2943.36   7.365    125
   2940.80   7.359    125
   2937.62   7.351    233
   2933.59   7.341     54
   2926.15   7.322     45
   2922.12   7.312    157
   2918.58   7.303    120
   2916.75   7.299    112
   2913.33   7.290     89
   1742.55   4.361   1000

in CDCl3

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1,3-Dihydrobenzo[c]thiophene 2,2-dioxide(2471-91-2) ¹H NMR