Product Name4-Bromo-2-fluorothiophene
Molecular FormulaC4H2BrFS
Molecular Weight181.0260832
InChIInChI=1S/C4H2BrFS/c5-3-1-4(6)7-2-3/h1-2H
InChIKey KMVFGVFFNSPCDV-UHFFFAOYSA-N
SmilesC1(F)SC=C(Br)C=1
-
Parameter ppm Hz
D(A) 6.46 D(B) 6.33 D(X) 34.60 J(A,B) 1.98 J(A,X) 3.32 J(B,X) 0.78 RODMAR,S. ET AL. ACTA CHEM.SCAND. 25, 3309 (1971) F-19 REFERENCE:HEXAFLUOROBENZENE.Spectral Code: 1H NMR : parameter in cyclohexane