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33644888173
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note
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(b) 3-Chlorcatechol was prepared by chlorination of 2-methoxyphenol and subsequent demethylation.
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33
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33644930727
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note
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6, 75 MHz): 14.1, 14.3, 60.0, 102.6, 103.9, 108.5, 116.8, 140.8, 143.2, 143.9, 161.6, 163.1.
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34
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33644911936
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note
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Crystallographic data for the structure in this paper have been deposited with Cambridge Crystallographic Data Centre as supplementary publication numbers CCDC 264239. Copies of the data can be obtained, free of charge, on application to CCDC, 12 UnionRoad, Cambridge CB2 1EZ, UK [fax: +44 (0)1223 336033 or e-mail: deposit@ccd.cam.ac.uk ].
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35
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0004133516
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Gaussian: Pittsburgh, PA
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All the geometry optimizations were carried out at b3lyp/6-31G* level, using the GAUSSIAN 98 package of programs until the stationary points were found. Gaussian 98, revision A11.3; Gaussian: Pittsburgh, PA, 2002.
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(2002)
Gaussian 98, Revision A11.3
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