Product Name1,1-Dichloro-3-fluoro-1,3-butadiene
Molecular FormulaC4H3Cl2F
Molecular Weight140.9710232
InChIInChI=1S/C4H3Cl2F/c1-3(7)2-4(5)6/h2H,1H2
InChIKey FGBNGCSIVBTMHR-UHFFFAOYSA-N
SmilesC(/Cl)(\Cl)=C/C(F)=C
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Parameter ppm Hz
D(A) 4.866 D(B) 4.689 D(C) 6.226 J(A,B) -3.18 J(A,C) 0.64 J(A,X) 16.28 J(B,C) -0.31 J(B,X) 46.45 J(C,X) 17.04 BOTHNER-BY,A.A. & KOSTER,D.F. J.AM.CHEM.SOC. 90, 2351 (1968)Spectral Code: 1H NMR : parameter in CDCl3