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Gäb, S. ; Born, L.* ; Parlar, H.A. ; Korte, F.*

Structural elucidation of an octachloro component of technical chlordane (compound K) by spectroscopic and X-ray methods.

J. Agric. Food Chem. 25, 1365-1371 (1977)

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Open Access Green as soon as Postprint is submitted to ZB.

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The technical chlordane constituent designated compound K is a formal isomer of chlordane (C10H6Cl8) which is formed by chlorination of α-chlordene (1) (C10H6Cl6) via a Wagner-Meerwein rearrangement. Structural elucidation of K involves dechlorination reactions, especially spectroscopic studies (MS, 1H NMR, and 13C NMR) of various photodechlorination products (3-7). From these data a structure for compound K is proposed. Confirmation of this structure is obtained by single-crystal x-ray diffraction. According to the results, compound K corresponds to 2,4,4,5,6,6,7,8-octachlorooctahydro-1,5-ethenopentalene (2).

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