Product Name5-Bromo-2,3-difluorothiophene
Molecular FormulaC4HBrF2S
Molecular Weight199.0165464
InChIInChI=1S/C4HBrF2S/c5-3-1-2(6)4(7)8-3/h1H
InChIKey GNHHLTIWDDCOOF-UHFFFAOYSA-N
SmilesC1(F)SC(Br)=CC=1F
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Parameter ppm Hz
D(A) 6.610 D(X) 12.014 D(Y) 16.756 J(A,X) 3.56 J(A,Y) 0.00 J(X,Y) 3.46 CHRISTIANSEN,H. ET AL. ARK.KEMI. 30, 561 (1968) F-19 REFERENCE:HEXAFLUOROBENZENE.Spectral Code: 1H NMR : parameter in cyclohexane