Product Name2-(4-Bromo-3-thienyl)-1,3-dioxolane
Molecular FormulaC7H7BrO2S
Molecular Weight235.09828
InChIInChI=1S/C7H7BrO2S/c8-6-4-11-3-5(6)7-9-1-2-10-7/h3-4,7H,1-2H2
InChIKey GLRPLWYAGUQTMY-UHFFFAOYSA-N
SmilesO1CCOC1C1C(Br)=CSC=1
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Parameter ppm Hz
D(A) 7.28 D(B) 7.05 D(C) 5.78 J(A,B) 3.50 J(A,C) 0.70 J(B,C) 0.0 D(D) 3.88 GRONOWITZ,S. ET AL. ARK.KEMI. 21, 265 (1963)Spectral Code: 1H NMR : parameter in cyclohexane