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4-Fluorothiophene-2-carbonitrile(32431-77-9) 1H NMR
Product Name4-Fluorothiophene-2-carbonitrile
CAS32431-77-9
Molecular FormulaC5H2FNS
Molecular Weight127.14
InChIInChI=1S/C5H2FNS/c6-4-1-5(2-7)8-3-4/h1,3H
InChIKey LRVKLFUQIQPYED-UHFFFAOYSA-N
SmilesC1(C#N)SC=C(F)C=1
-
Parameter ppm Hz
D(A) 6.90 D(B) 7.22 D(X) 36.35 J(A,B) 1.72 J(A,X) 1.08 J(B,X) -0.86 RODMAR,S. ET AL. ACTA CHEM.SCAND. 25, 3309 (1971) F-19 REFERENCE:HEXAFLUOROBENZENE.Spectral Code: 1H NMR : parameter in cyclohexane