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Back ChemicalBook Home>CAS DataBase List>2471-91-2More Spectrum> 1,3-Dihydrobenzo[c]thiophene 2,2-dioxide(2471-91-2) 1H NMR

2471-91-2

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

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

  • 1,3-Dihydrobenzo[c]thiophene 2,2-dioxide(2471-91-2) <sup>1</sup>H NMR
    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

  • 1,3-Dihydrobenzo[c]thiophene 2,2-dioxide(2471-91-2) <sup>1</sup>H NMR

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

  • 1,3-Dihydrobenzo[c]thiophene 2,2-dioxide(2471-91-2) <sup>1</sup>H NMR

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

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