Product Name2-Methyl-m-dioxane
CAS626-68-6
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKey HDGHQFQMWUTHKL-UHFFFAOYSA-N
SmilesO1CCCOC1C
Parameter ppm Hz
D(A) 3.61 D(B) 3.95 D(C) 1.95 D(D) 1.23 J(A,A') 0.0 J(A,B) -11.7 J(A,B') 0.0 J(A,C) 12.4 J(A,D) 2.6 J(A',B) 0.0 J(A',B') -11.7 J(A',C) 12.4 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) -13.3 D(E) 4.50 D(F) 1.15 J(E,F) 5.0 BUYS,H.R. & ELIEL,E.L. TETRAHEDRON LETT. 32, 2779 (1970)
2-Methyl-m-dioxane(626-68-6) 1H NMR Atlas of Related Products
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