Structure

Solving Based on IR, MS,

1H and 13C NMR

Spectroscopic Data

Structural Elucida,on

Week 14 Lecture 2
SpliBng PaDerns in Benzene
DerivaFves
SpliBng PaDerns in Benzene
DerivaFves
SpliBng PaDerns in Benzene
DerivaFves
SpliBng PaDerns in Benzene
DerivaFves
SpliBng PaDerns in Benzene
DerivaFves
Typical Values for IR
Typical Values for MS
Typical Values for 1H NMR

Chapter 13 9
Typical Values for 13C NMR

10
 Structural ElucidaFon
•  Calculate the IHD (Index of Hydrogen Deficiency)

–  is the sum of the number of rings and pi bonds in
a molecule
–  also known as Degrees of UnsaturaFon/Double
Bond Equivalents.
 Structural ElucidaFon
IHD

 Structural ElucidaFon
IHD

 Structural ElucidaFon
IHD

 Structural ElucidaFon
REMEMBER

If the molecule is symmetrical it will decrease

the number of NMR signals
Structural ElucidaFon
Problem 1: C3H5O2Br
Structural ElucidaFon
Structural ElucidaFon
Problem 2: C9H12
Structural ElucidaFon
Structural ElucidaFon
Problem 3: C8H14O4
Structural ElucidaFon
Structural ElucidaFon
Problem 4: C7H13Br