Product Name1-(Bromomethyl)-1-ethylallene
Molecular FormulaC6H9Br
Molecular Weight161.03966
InChIInChI=1S/C6H9Br/c1-3-6(4-2)5-7/h1,4-5H2,2H3
InChIKey MAUOQTXWFWKUSX-UHFFFAOYSA-N
SmilesC(CBr)(CC)=C=C
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Parameter ppm Hz
D(A) 4.77 D(B) 3.93 D(C) 2.14 D(D) 1.06 J(A,B) 1.7 J(A,C) 3.5 J(A,D) 0.0 J(B,C) 0.0 J(B,D) 0.0 J(C,D) 7.3 LUMBROSO-BADER,N. ET AL. BULL.SOC.CHIM.FR. 1967, 189Spectral Code: 1H NMR : parameter in CCl4