2-Fluoro-5-iodothiophene
产品名称
2-Fluoro-5-iodothiophene
CAS号29669-47-4
分子式C4H2FIS
分子量228.0265532
InChIInChI=1S/C4H2FIS/c5-3-1-2-4(6)7-3/h1-2H
InChIKeyQKBQPGIVOIYVJF-UHFFFAOYSA-N
SmilesC1(F)SC(I)=CC=1
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Parameter ppm Hz
D(A) 6.79
D(B) 6.05
D(X) 38.75
J(A,B) 4.06
J(A,X) 3.22
J(B,X) 2.22
RODMAR,S. ET AL. ACTA CHEM.SCAND. 25, 3309 (1971)
F-19 REFERENCE:HEXAFLUOROBENZENE.
Spectral Code: 1H NMR : parameter in cyclohexane