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2-Bromo-1,3-butadiene(1822-86-2) 1H NMR
Product Name2-Bromo-1,3-butadiene
CAS1822-86-2
Molecular FormulaC4H5Br
Molecular Weight132.99
InChIInChI=1S/C4H5Br/c1-3-4(2)5/h3H,1-2H2
InChIKey WWJSRLYOPQYXMZ-UHFFFAOYSA-N
SmilesC=C(Br)C=C
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Parameter ppm Hz
D(A) 5.601 D(B) 5.740 D(C) 6.244 D(D) 5.251 D(E) 5.568 J(A,B) -1.35 J(A,C) -0.32 J(A,D) 1.34 J(A,E) 0.61 J(B,C) -0.76 J(B,D) 0.69 J(B,E) 0.70 J(C,D) 10.41 J(C,E) 16.31 J(D,E) 0.82 BOTHNER-BY,A.A. & JUNG,D. J.AM.CHEM.SOC. 90, 2342 (1968)Spectral Code: 1H NMR : parameter in CCl4