NMR

Arif Setiawansyah, M.S.Farm

H-NMR
Empat informasi yang dibutuhkan dalam
interpretasi spektra H-NMR :
1. Banyaknya sinyal yang berbeda, menunjukkan
tipe proton yang terkandung dalam senyawa
tersebut.
2. Geseran Kimia, menunjukkan lingkungan
elektron.
3. Intensitas atau Integrasi, menunjukkan jumlah
proton dirinya sendiri
4. Splitting, menunjukkan jumlah proton dari atom
H tetangga
Proton in molecule
Depending on their chemical
environment, protons in a molecule are
shielded by different amounts.

=>
Jumlah Sinyal
Hidrogen yang ekivalen memiliki geseran
kimia yang sama

=>
 Pelarut 1
H NMR 13
C NMR
Acetic Acid 11.65 (1) , 2.04 (5) 179.0 (1) , 20.0 (7)
Acetone 2.05 (5) 206.7 (13) , 29.9 (7)
Acetonitrile 1.94 (5) 118.7 (1) , 1.39 (7)
Benzene 7.16 (1) 128.4 (3)
Chloroform 7.26 (1) 77.2 (3)
Dimethyl Sulfoxide 2.50 (5) 39.5 (7)
Methanol 4.87 (1) , 3.31 (5) 49.1 (7)
Methylene Chloride 5.32 (3) 54.00 (5)
150.3 (1) , 135.9 (3) , 123.9
Pyridine 8.74 (1) , 7.58 (1) , 7.22 (1)
(5)
Water (D2O) 4.8
Integration

Integration is defined as the area underneath each

signal.
This area is proportional to the number of
hydrogens contributing to that signal.
In most instances, the student will not have
available the chemical formula of the unknown
compound.
To calculate the number of hydrogens per signal,
first add up all of the integration values.
Divide each area by the total area.

Divide by the lowest number and multiply by the

same factor to get all of the numbers to whole
values.

If there are three signals, the following equations

are used.
Intensity of Signals
 The area under each peak is
proportional to the number of protons.
 Shown by integral trace.

=>
How Many Hydrogens?
When the molecular formula is known,
each integral rise can be assigned to a
particular number of hydrogens.

=>
Multiplisitas

The theoretical measure of the line composition in

multiplets arises from the coefficients of the
expanded polynomial, as seen in Pascal's triangle

In simple terms, the number of peaks, within a signal,

is equal to the number of hydrogens on the adjacent
carbons plus one.

On a spectrum, the number of peaks, within a signal,

minus one is equal to the number of hydrogens on
adjacent carbons.
CARBON-13 SPECTRA

Three important types of information are needed for

the interpretation of carbon-13 NMR spectra:

1. The number of different signals indicates how

many different types of carbons are present.

2. The chemical shifts of each signal indicate the

electronic environment.

3. Using DEPT, each Signal is identified as CH 3,

CH2, CH, or C.
CHEMICAL SHIFT
Splitting

Nowadays, all carbon-13 NMR spectra are run

decoupled.

Decoupling removes all of the splitting between

carbon and hydrogen.

If the spectra were run coupled, then a CH3 would

show up as a quartet, a CH2 would show up as a
triplet, a CH would show up as a doublet, and a C
would show up as a singlet.

This type of information is obtained from DEPT

spectra
DEPT

Metode ini (Distortionless Enhancement by

Polarization Transfer (DEPT)) spektrum, CH3, CH2,
CH, dan C dapat dibedakan .

A proton pulse is set at 45°, 90°, and 135° in three

separate experiments.
DEPT spectra are presented in two basic ways.

In one type of DEPT spectra,

the methyls are positive at 135°, zero at 90°, and
positive at 45°;
methylenes are negative at 135°, zero at 90°, and
positive at 45°;
and the methines are positive at 135°, positive at
90°, and positive at 45°.

In a second type of DEPT spectra, separate

spectra are obtained for the methyls, methylenes,
and methines.