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(E)-hex-3-enedinitrile (18715-38-3) 1H NMR
Product Name(E)-hex-3-enedinitrile
CAS18715-38-3
Molecular FormulaC6H6N2
Molecular Weight106.13
InChIInChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2/b2-1+
InChIKey BSVZXPLUMFUWHW-OWOJBTEDSA-N
SmilesC(#N)C/C=C/CC#N
-
Parameter ppm Hz
D(A) 3.141 D(B) 5.719 J(A,A') 1.63 J(A,B) 5.68 J(A,B') -1.77 J(A',B) -1.77 J(A',B') 5.68 J(B,B') 15.60 HARRIS,R.K. & HOWES,B.R. J.MOL.SPECTROSC. 28, 191 (1968)Spectral Code: 1H NMR : parameter in CH3CN