Rolziracetam(18356-28-0) 1H NMR
Product NameRolziracetam
CAS18356-28-0
Molecular FormulaC7H9NO2
Molecular Weight139.15
InChIInChI=1S/C7H9NO2/c9-6-3-1-5-2-4-7(10)8(5)6/h5H,1-4H2
InChIKey IEZDOKQWPWZVQF-UHFFFAOYSA-N
SmilesN12C(=O)CCC1CCC2=O
-
Parameter ppm Hz
D(A) 4.40 D(B) 2.24 D(C) 1.74 D(D) 2.54 D(E) 2.66 J(A,B) 5.9 J(A,B') 5.9 J(A,C) 10.0 J(A,C') 10.0 J(A,D) 0.0 J(A,D') 0.0 J(A,E) 0.0 J(A,E') 0.0 J(B,B') 0.0 J(B,C) -12.5 J(B,C') 0.0 J(B,D) 0.8 J(B,D') 0.0 J(B,E) 8.2 J(B,E') 0.0 J(B',C) 0.0 J(B',C') -12.5 J(B',D) 0.0 J(B',D') 0.8 J(B',E) 0.0 J(B',E') 8.2 J(C,C') 0.0 J(C,D) 8.5 J(C,D') 0.0 J(C,E) 12.7 J(C,E') 0.0 J(C',D) 0.0 J(C',D') 8.5 J(C',E) 0.0 J(C',E') 12.7 J(D,D') 0.0 J(D,E) -17.5 J(D,E') 0.0 J(D',E) 0.0 J(D',E') -17.5 J(E,E') 0.0 AASEN,A.J. ET AL. AUST.J.CHEM. 24, 2575 (1971)Spectral Code: 1H NMR : parameter in CDCl3