Back ChemicalBook Home>CAS DataBase List>5702-49-8More Spectrum> 2-Methylpropanal trimethylene acetal(5702-49-8) 1H NMR
2-Methylpropanal trimethylene acetal(5702-49-8) 1H NMR
Product Name2-Methylpropanal trimethylene acetal
CAS5702-49-8
Molecular Formula
Molecular Weight
InChIInChI=1S/C7H14O2/c1-6(2)7-8-4-3-5-9-7/h6-7H,3-5H2,1-2H3
InChIKey JUTVXESYHPHLKJ-UHFFFAOYSA-N
SmilesC1(OCCCO1)C(C)C
-
Parameter ppm Hz
D(A) 3.60 D(B) 3.99 D(C) 1.96 D(D) 1.24 J(A,A') 0.0 J(A,B) -11.6 J(A,B') 0.0 J(A,C) 12.5 J(A,D) 2.6 J(A',B) 0.0 J(A',B') -11.6 J(A',C) 12.5 J(A',D) 2.6 J(B,B') 0.0 J(B,C) 5.0 J(B,D) 1.3 J(B',C) 5.0 J(B',D) 1.3 J(C,D) -13.2 D(E) 4.09 D(F) 1.65 D(G) 0.84 J(E,F) 4.75 J(E,G) 0.0 J(F,G) 7.0 BUYS,H.R. & ELIEL,E.L. TETRAHEDRON LETT. 32, 2779 (1970)Spectral Code: 1H NMR : parameter in CCl4