Chapter 13.SE, Problem 46AP

Interpretation Introduction

Interpretation:

The structure of a given molecular formula C₈H₁₆ to be predicted using spectrum details.

Concept introduction:

¹HNMR : The ¹HNMR spectrum gives information on the different electronic environment of protons. The number of signal (proton types) generated in ¹HNMR are predicted by performing symmetry operations (rotation or reflection symmetry).

The ¹³CNMR spectrum gives information on the different electronic environments of carbon. As like ¹HNMR, the number of signals generated in ¹³CNMR are predicted by performing symmetry operations (rotation or reflection symmetry). Only chemical shift values are reported in the spectrum but not the multiplicity and integration values because the coupling between two neighboring ¹³C - ¹³C nuclei are weakly involved due to the low abundance of ¹³C isotopes of carbon atom.

HDI Calculation:

Where

C represent number of carbons.

N represent number of nitrogens.

H represent number of hydrogens.

X represent number of halogens.

To identify:

The structure of a given molecular formula C₈H₁₆.