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 172) suggests that the carbon is a carbonyl, most likely a carboxylic acid or ester.











The peak is a singlet, indicating that it corresponds to a carbon bearing no hydrogens. The chemical shift (d 118) is in the region often observed for alkenes, alkynes adjacent to electron withdrawing groups and for nitriles.











The peak is a triplet, indicating that it corresponds to a  CH2 group.  The chemical shift (d 59) suggests that the CH2 is adjacent to an electronegative atom (i.e., oxygen).











The peak is a triplet, indicating that it corresponds to a  CH2 group.  The chemical shift (d 22) suggests that the CH2 is adjacent to something mildly electronegative (i.e., a carbonyl), or is shielded by an adjacent sp-p system.











The peak is a quartet, indicating that it corresponds to a  CH3 group.  The chemical shift (d 14) is in the "simple" range, suggesting a simple terminal CH3 adjacent to something like a CH2.












C5H7O2N 

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














The 13C NMR has 5 peaks, a quartet at d 14 (a CH3), a triplet at d 59 (a CH2), another triplet at d 22 (another CH2), and two singlets, one at d 118 and one at d 172.  Since the molecule has five carbons and five 13C NMR peaks, there must be no symmetry.  The singlet at d 172 is in the carbonyl region, most likely an acid or an ester.  The CH2 at d 59 is in the region where carbons next to electronegative atoms occur (i.e., oxygen) and the CH3 at d 14 is a simple terminal methyl, suggesting an -O-CH2CH3 residue.  The singlet at d 118 would be consistent with a nitrile carbon and the shielded CH2 at d 22 suggests that it may be adjacent to the sp-carbon of the nitrile.












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Structure: structure

IUPAC Name: ethyl cyanoacetate