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1,3,2-Dioxathiane 2-oxide(4176-55-0) 1H NMR
Product Name1,3,2-Dioxathiane 2-oxide
CAS4176-55-0
Molecular FormulaC3H6O3S
Molecular Weight122.14
InChIInChI=1S/C3H6O3S/c4-7-5-2-1-3-6-7/h1-3H2
InChIKey LOURZMYQPMDBSR-UHFFFAOYSA-N
SmilesO1CCCOS1=O
-
Parameter ppm Hz
D(A) 4.85 D(B) 3.90 D(C) 2.45 D(D) 1.70 J(A,A') -0.04 J(A,B) -11.38 J(A,B') -0.52 J(A,C) 12.08 J(A,D) 2.61 J(A',B) -0.52 J(A',B') -11.38 J(A',C) 12.08 J(A',D) 2.61 J(B,B') 1.58 J(B,C) 4.63 J(B,D) 2.73 J(B',C) 4.63 J(B',D) 2.73 J(C,D) -14.46 ALBRIKTSEN,P. ACTA CHEM.SCAND. 25, 478 (1971)Spectral Code: 1H NMR : parameter neat
