Product Name4-Chloro-2-fluorothiophene
Molecular FormulaC4H2ClFS
Molecular Weight136.5750832
InChIInChI=1S/C4H2ClFS/c5-3-1-4(6)7-2-3/h1-2H
InChIKey DAFAFVIZIFRLMW-UHFFFAOYSA-N
SmilesC1(F)SC=C(Cl)C=1
-
Parameter ppm Hz
D(A) 6.29 D(B) 6.28 D(X) 35.36 J(A,B) 2.03 J(A,X) 3.40 J(B,X) 0.95 RODMAR,S. ET AL. ACTA CHEM.SCAND. 25, 3309 (1971) F-19 REFERENCE:HEXAFLUOROBENZENE.Spectral Code: 1H NMR : parameter in cyclohexane