Carbon-13 NMR: Mr. Faheem Shaikh. (M.Pharm 1 SEM.)

CARBON-13 NMR
PRESENTED BY :
Mr. FAHEEM SHAIKH.
( M.PHARM 1ST SEM. )
GUIDED BY :
PROF. PARAG PATADE
K. B. H. S. S. TRUST’S INSTITUTE OF HOD. of Analyticat Department.
PHARMACY , MALEGAON CAMP , NASHIK
INTRODUCTION:-
NUCLEAR MAGNETIC RESONANCE
(NMR Spectroscopy)
• A spectroscopic technique that gives us information about the

number and types of atoms in a molecule.
• Nuclear magnetic resonance spectroscopy is a powerful
analytical technique used to characterize organic molecules by
identifying carbon-hydrogen frameworks within molecules.
Nuclear Magnetic Resonance
In the Nucleus Involves Magnets In the Nucleus

2
 It is concerned with the magnetic properties of
certain atomic nuclei.
 Involves change in the spin state at the nuclear level.
SPINNIG NUCLEUS:
 proton acts as a tiny spinning
bar magnet and possesses both
electrical charge and mechanical spin.
 NMR is the most powerful tool available for organic structure
determination.
 It is used to study a wide variety of nuclei:
1. 1H
2. 13C
3. 15N
4. 19F 3
5. 31P
 Two common types of NMR spectroscopy are used to
characterize organic structure: 1H NMR is used to determine
the type and number of H atoms in a molecule; 13C NMR is
used to determine the type and number of C atoms in the
molecule.
 The source of energy in NMR is radio waves which have
long wavelengths, and thus low energy and frequency.
 When low-energy radio waves interact with a molecule, they
can change the nuclear spins of certain atoms in presence of
strong magnetic fields, including 1H and 13C.
 All the atoms contains nuclei and all nuclei contains protons
(+ve) charge in which some charge nuclei posses “Spin” on
their own axis.
4
INTRODUCTION TO 13C-NMR
• Proton NMR used often for the complete elucidation

of the unknown compound.
• Carbon NMR can used to determine the number of

non-equivalent carbons and to identify the types of
carbon atoms(methyl, methylene, aromatic,carbonyl….)
which may present in compound.
5
INTRODUCTION ( CONT : )
• 12C has no magnetic spin.

13. C has a magnetic spin, but is only 1% of the carbon in
a sample.
•The gyromagnetic ratio of 13C is one-fourth of that of
1H.
•Signals are weak, getting lost in noise.

Hundreds of spectra are taken, averaged
6
IMPORTANCE OF 13C NMR
• CMR is a noninvasive and nondestrutive method,i.e,especially used in
repetitive In-vivo analysis of the sample without harming the tissues .
• CMR of biological materials allows for the assessment of the
metabolism of carbon, which is so elementary to life on earth.
• CMR, chemical shift range(0-240 ppm) is wider compared to H-
NMR(0-14 ppm), which permits easy seperation and identification of
chemically closely related metabolites.
• The low natural abundance of 13C nuclei (1.1%) can be made use of
tagging a specific carbon position by selective C-13 enrichment, which
the signal intensities and helps in tracing the cellular metabolism.
• Labelling is more convenient means of followimg the metabolism
specific carbons throughout the metabolism.
• C13 nuclei are a stable isotope and hence it is not subjected to dangers
related to radiotracers.
• Labelling of 13C nucleus at multiple carbon sites in the same molecule
was possible, as result homonuclear 13C-13C coupling provides novel
biochemical information. 7
CHARACTERISTIC FEATURES OF 13C NMR
• The chemical shift of the CMR is wider(δ is 0-240ppm relative to

TMS) in comparison to PMR(δ is 0-14ppm relative to TMS).
• C13-C13 coupling is negligible because of low natural abundance of

C13 in the compound. Thus in one type of CMR
• spectrum(proton de coupled) each magnetically non equivalent

carbon gives a single sharp peak that does undergo further splitting.
• The area under the peak in CMR spectrum is not necessary to be

proportional to the number of carbon responsible for the signal.
Therefore not necessary to consider the area ratio.
• In proton-coupled spectra, the signal for each carbon or a groupof 8

magnetically equivalent carbon is split by proton bonded directly to
that carbon and the n+1 rule is followed.
SILENT FACTS OF 13C-NMR
13
WHY C-
NMR GIVES
SPECTRA
WHY NOT
12
THE C-
NMR ???
9
12 13
C-NMR C-NMR
no peak Gives peak
I=0 I = 1/2
6P+6N=12 6P+7N=13
10
TYPES OF 13C SPECTRA
1) PROTON COUPLED 13C SPECTRA
2) PROTON DECOUPLED 13C SPECTRA
1) PROTON COUPLED 13c SPECTRA
a) Homoannular coupling
the probablity of finding 13c adjacent carbon is very less
therefore
homonuclear [carbon- carbon ]splitting is rearaly seen
b) Hetronuclear coupling.
it involving two different atoms [carbon- hydrogen]
Here splitting arises due proton attached directly to 13c carbon

11
12
2) PROTON DECOUPLED 13C SPECTRA
Here the decouplig technique obliterates all the
interaction between proton and c13nuclei thus
singlet are observed in proton decoupled c-13
spectra
13
14
INTERPRETING 13C NMR
• The number of different signals indicates the
number of different kinds of carbon.
• The location (chemical shift) indicates the type

of functional group.
• The peak area indicates the numbers of carbons

(if integrated).
• The splitting pattern of off-resonance decoupled

spectrum indicates the number of protons 15
attached to the carbon.
TWO 13C NMR SPECTRA
16
REFERENCES :
• Pavia: Introduction to spectroscopy, 3rd edition.
• Y.R. Sharma: Elementary organic spectroscopy, principle
and chemical applications.
• Spectroscopy, B.K.Sharma
• Instrumental Analysis , India edition , Skoog , Holler , Crouch
• Instrumental Methods of Chemical Analysis , Gurdeep R,Chatwal ,

Sham K. Anand
17
THANK
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CARBON-13 NMR

• A spectroscopic technique that gives us information about the

Nuclear Magnetic Resonance

In the Nucleus Involves Magnets In the Nucleus

• Proton NMR used often for the complete elucidation

• Carbon NMR can used to determine the number of

• 12C has no magnetic spin.

•Signals are weak, getting lost in noise.

• The chemical shift of the CMR is wider(δ is 0-240ppm relative to

• C13-C13 coupling is negligible because of low natural abundance of

• spectrum(proton de coupled) each magnetically non equivalent

• The area under the peak in CMR spectrum is not necessary to be

• In proton-coupled spectra, the signal for each carbon or a groupof 8

Here splitting arises due proton attached directly to 13c carbon

• The location (chemical shift) indicates the type

• The peak area indicates the numbers of carbons

• The splitting pattern of off-resonance decoupled

• Instrumental Analysis , India edition , Skoog , Holler , Crouch

• Instrumental Methods of Chemical Analysis , Gurdeep R,Chatwal ,

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