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Question: Carbon NMR Assignments for Chloronitro benzenes – Calculated vs. Actual Values. Cl Cl NO NO 1-chl…

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Question: Carbon NMR Assignments for Chloronitro benzenes - Calculated vs. Actual Values. Cl Cl NO NO 1-chl...

Show transcribed image text Carbon NMR Assignments for Chloronitro benzenes – Calculated vs. Actual Values. Cl Cl NO NO 1-chloro-3-nitrobenzene 1-chloro-4-nitrobenzene For 1-chloro-3-nitrobenzene and 1-chloro-4-nitrobenzene, calculate the expected carbon NMR chemical shifts using the data found at the very useful "Reich" NMR site below (updated 10/14/17): http://www.chem.wisc.edu/areas/reich/nmr/c13-data/cdata.htm From the left column select "Benzene-Substituent Effects." Here you will find a chart very similar to the one I handed you in class (plus, if you explore a little, an enormous amount of other proton and carbon data). Note that the effect of each substituent on each carbon is additive. The actual carbon assignments can be found at the NMR site in Japan, which is given here: http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang eng Agree to the disclaimer and at the search screen look up each isomer by IUPAC name and you will find, among other information, the carbon spectra and the assigned carbon chemical shifts. Compare the calculated and actual carbon chemical shifts in the table.

Carbon NMR Assignments for Chloronitro benzenes – Calculated vs. Actual Values. Cl Cl NO NO 1-chloro-3-nitrobenzene 1-chloro-4-nitrobenzene For 1-chloro-3-nitrobenzene and 1-chloro-4-nitrobenzene, calculate the expected carbon NMR chemical shifts using the data found at the very useful "Reich" NMR site below (updated 10/14/17): http://www.chem.wisc.edu/areas/reich/nmr/c13-data/cdata.htm From the left column select "Benzene-Substituent Effects." Here you will find a chart very similar to the one I handed you in class (plus, if you explore a little, an enormous amount of other proton and carbon data). Note that the effect of each substituent on each carbon is additive. The actual carbon assignments can be found at the NMR site in Japan, which is given here: http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang eng Agree to the disclaimer and at the search screen look up each isomer by IUPAC name and you will find, among other information, the carbon spectra and the assigned carbon chemical shifts. Compare the calculated and actual carbon chemical shifts in the table.

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