Product Name1,1,3-Trichloro-1,3-butadiene
Molecular FormulaC4H3Cl3
Molecular Weight157.42562
InChIInChI=1S/C4H3Cl3/c1-3(5)2-4(6)7/h2H,1H2
InChIKey BDHPROMBPCDHEB-UHFFFAOYSA-N
SmilesC(/Cl)(\Cl)=C/C(Cl)=C
-
Parameter ppm Hz
D(A) 6.334 D(B) 5.689 D(C) 5.617 J(A,B) -1.05 J(A,C) -0.04 J(B,C) -1.83 BOTHNER-BY,A.A. & JUNG,D. J.AM.CHEM.SOC. 90, 2342 (1968)Spectral Code: 1H NMR : parameter in CDCl3