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Molecular FormulaC5H5FO2S2

Molecular Weight180.2204032

InChIInChI=1S/C5H5FO2S2/c1-10(7,8)5-3-2-4(6)9-5/h2-3H,1H3

InChIKey UHCOSKROUFGIHD-UHFFFAOYSA-N

SmilesS(C1SC(F)=CC=1)(C)(=O)=O



  •     Parameter     ppm  Hz
    D(A) 6.80 D(B) 7.50 D(C) 3.23 D(X) 42.65 J(A,B) 4.30 J(A,C) 0.0 J(A,X) 1.47 J(B,C) 0.13 J(B,X) 3.75 J(C,X) 0.32 RODMAR,S. ET AL. ACTA CHEM.SCAND. 25, 3309 (1971) F-19 REFERENCE:HEXAFLUOROBENZENE.
    Spectral Code: 1H NMR : parameter in acetone

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