Product Name1-Chloro-1,2-butadiene
Molecular FormulaC4H5Cl
Molecular Weight88.5355
InChIInChI=1S/C4H5Cl/c1-2-3-4-5/h2,4H,1H3
InChIKey ATIACLGGQZJTFO-UHFFFAOYSA-N
SmilesC(Cl)=C=CC
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Parameter ppm Hz
D(A) 5.930 D(B) 5.530 D(C) 1.743 J(A,B) -5.80 J(A,C) 2.40 J(B,C) 7.20 SNYDER,E.I. & ROBERTS,J.D. J.AM.CHEM.SOC. 84, 1582 (1962)Spectral Code: 1H NMR : parameter neat