Product Name1,1-Dibromo-3-fluoro-1,3-butadiene
Molecular FormulaC4H3Br2F
Molecular Weight229.8730232
InChIInChI=1S/C4H3Br2F/c1-3(7)2-4(5)6/h2H,1H2
InChIKey FTMQWNZESOMLIZ-UHFFFAOYSA-N
SmilesC(/Br)(\Br)=C/C(F)=C
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Parameter ppm Hz
D(A) 4.902 D(B) 4.806 D(C) 6.888 J(A,B) -3.22 J(A,C) 0.54 J(A,X) 16.08 J(B,C) -0.31 J(B,X) 46.30 J(C,X) 17.33 BOTHNER-BY,A.A. & KOSTER,D.F. J.AM.CHEM.SOC. 90, 2351 (1968)Spectral Code: 1H NMR : parameter in CDCl3