Click on any peak for help in interpreting this spectrum.











The peak is a singlet, indicating that it corresponds to a carbon bearing no hydrogens. The chemical shift (d 198) suggests that the carbon is a carbonyl, most likely an aldehyde or ketone.











The peak is a doublet, indicating that it corresponds to a CH. The chemical shift (d 145) is in the "alkene" region.











The peak is a doublet, indicating that it corresponds to a CH. The chemical shift (d 129) is in the "alkene" region.











The peak is a triplet, indicating that it corresponds to a  CH2 group.  The chemical shift (d 47) suggests that the CH2 is adjacent to something mildly electronegative (i.e., a carbonyl or an alkene p-system).











The peak is a triplet, indicating that it corresponds to a  CH2 group.  The chemical shift (d 41) suggests that the CH2 is adjacent to something mildly electronegative (i.e., a carbonyl or an alkene p-system).











The peak is a triplet, indicating that it corresponds to a  CH2 group.  The chemical shift (d 30) is in the "simple" range, suggesting a simple internal CH2.












C6H8O 

From the molecular formula, the compound has "3 degrees of unsaturation" (3 double bonds or rings).














 





The 13C NMR has 6 peaks, three triplets (CH2 groups) at d 46, 30 and 41, two doublets (CH groups), at d 129 and 145, and one singlet at d 198.  Since the molecule has six carbons and six 13C NMR peaks, there must be no symmetry.  The singlet at d 198 is in the carbonyl region, most likely an aldehyde or ketone.  Two of the three CH2 groups are shifted by electronegative groups, suggesting a X-CH2-CH2-CH2-Y unit.  The doublets at d 129 and 145 are in the alkene region, suggesting a -CH=CH- group.  The three degrees of unsaturation suggests that the molecule also has a ring.












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Structure: structure

IUPAC Name: cyclohexanon-2-ene