Product Name2,2,4-Trimethyl-1,3-dithiolane
CAS5862-53-3
Molecular FormulaC6H12S2
Molecular Weight148.29
InChIInChI=1S/C6H12S2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3
InChIKey CRVLTUAGMFKJEA-UHFFFAOYSA-N
SmilesS1CC(C)SC1(C)C
Parameter ppm Hz
D(A) 3.903 D(B) 3.308 D(C) 2.998 D(D) 1.403 J(A,B) 4.87 J(A,C) 7.61 J(A,D) 6.50 J(B,C) -11.48 J(B,D) 0.0 J(C,D) 0.0 D(E) *1 1.768 D(F) *1 1.747 J(E,F) 0.0 KESKINEN,R. ET AL. J.CHEM.SOC..,PERKIN TRANS.2 1973, 1376
2,2,4-Trimethyl-1,3-dithiolane(5862-53-3) 1H NMR Atlas of Related Products
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