Product Name2-Iodo-4-fluorothiophene
Molecular FormulaC4H2FIS
Molecular Weight228.0265532
InChIInChI=1S/C4H2FIS/c5-3-1-4(6)7-2-3/h1-2H
InChIKey SXPIMQKQBSYNKJ-UHFFFAOYSA-N
SmilesC1(I)SC=C(F)C=1
-
Parameter ppm Hz
D(A) 6.56 D(B) 6.86 D(X) 36.58 J(A,B) 1.73 J(A,X) 1.54 J(B,X) -1.16 RODMAR,S. ET AL. ACTA CHEM.SCAND. 25, 3309 (1971) F-19 REFERENCE:HEXAFLUOROBENZENE.Spectral Code: 1H NMR : parameter in cyclohexane