cyclobutene (822-35-5) 1H NMR
Product Namecyclobutene
CAS822-35-5
Molecular FormulaC4H6
Molecular Weight54.09
InChIInChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2
InChIKey CFBGXYDUODCMNS-UHFFFAOYSA-N
SmilesC1CCC=1
-
Parameter ppm Hz
D(A) 5.95 D(B) 2.57 J(A,A') 2.70 J(A,B) -0.80 J(A,B') -0.80 J(A,B'') 1.55 J(A,B''') 1.55 J(A',B) 1.55 J(A',B') 1.55 J(A',B'') -0.80 J(A',B''') -0.80 J(B,B') -12.00 J(B,B'') 1.65 J(B,B''') 4.35 J(B',B'') 4.35 J(B',B''') 1.65 J(B'',B''') -12.00 BORCIC,S. & ROBERTS,J.D. J.AM.CHEM.SOC. 87, 1056 (1965) J(C-13,A):170HZ, J(C-13,B) & J(C-13,B'):140HZ.Spectral Code: 1H NMR : parameter neat