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2-chloro-1,3-butadiene(126-99-8) 1H NMR
Product Name2-chloro-1,3-butadiene
CAS126-99-8
Molecular FormulaC4H5Cl
Molecular Weight88.54
InChIInChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
InChIKey YACLQRRMGMJLJV-UHFFFAOYSA-N
SmilesC=C(Cl)C=C
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Parameter ppm Hz
D(A) 5.203 D(B) 5.075 D(C) 6.178 D(D) 5.095 D(E) 5.588 J(A,B) -1.07 J(A,C) -0.18 J(A,D) 1.42 J(A,E) 0.61 J(B,C) -0.60 J(B,D) 0.72 J(B,E) 0.67 J(C,D) 10.51 J(C,E) 16.54 J(D,E) 0.95 BOTHNER-BY,A.A. & HARRIS,R.K. J.AM.CHEM.SOC. 87, 3445 (1965)Spectral Code: 1H NMR : parameter in xylene
