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1,3-Dihydro-2-benzothiophene-1,3-dione(5698-59-9) 1H NMR
Product Name1,3-Dihydro-2-benzothiophene-1,3-dione
CAS5698-59-9
Molecular FormulaC8H4O2S
Molecular Weight164.18
InChIInChI=1S/C8H4O2S/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
InChIKey LYWRIGIFLAVWAF-UHFFFAOYSA-N
SmilesC1(=O)SC(=O)C2=CC=CC=C12
parameter in CDCl3
-
1H NMR 300 MHz C8 H4 O2 S in CDCl3 phthalic thioanhydride 
Parameter ppm Hz
D(A) 7.969 D(B) 7.801 J(A,A') 0.60 J(A,B) 7.60 J(A,B') 1.14 J(A',B) 1.14 J(A',B') 7.60 J(B,B') 7.60 GALASSO,V. ET AL. ORG.MAGN.RESON. 7, 591 (1975)
Hz ppm Int.2400.30 8.001 45 2399.14 7.997 58 2395.37 7.985 725 2392.18 7.974 762 2389.82 7.966 674 2386.62 7.955 1000 2382.66 7.942 107 2381.87 7.940 93 2349.13 7.830 93 2348.34 7.828 107 2344.39 7.815 1000 2341.19 7.804 674 2338.82 7.796 762 2335.63 7.785 725 2331.86 7.773 58 2330.70 7.769 45