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The Carbon-13 NMR spectrum of
2,2,3-trimethylbutane
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Brown's Chemistry Advanced Level Pre-University Chemistry Revision Study
Notes for UK IB KS5 A/AS GCE advanced A level organic chemistry students US
K12 grade 11 grade 12 organic chemistry courses involving molecular
spectroscopy analysing C-13 NMR spectra of 2,2,3-trimethylbutane
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C-13
NMR spectroscopy - spectra index
See also
comparing the
1H NMR and 13C NMR spectra of the nine alkane structural isomers of C7H16
TMS is the acronym for tetramethylsilane, formula Si(CH3)4,
whose 13C atoms are arbitrarily given a chemical shift of 0.0
ppm. This is the 'standard' in 13C NMR spectroscopy and all other
13C resonances, called chemical shifts, are measured with
respect to the TMS, and depend on the
individual (electronic) chemical environment of the 13C atoms in
an organic molecule - 2,2,3-trimethylbutane here.
2,2,3-trimethylbutane C7H16
For more
see
The molecular structure,
classification and
naming of alkanes
Interpreting the C-13 NMR spectrum of 2,2,3-trimethylbutane
As you can see from the diagram above there are
4 different chemical shift lines in the C-13 NMR spectrum of
2,2,3-trimethylbutane
indicating 4 different chemical environments of the carbon atoms.
(CH3)3CCH(CH3)2
(Note the 4 different colours indicating the
4 different chemical environments of the carbon atoms in
2,2,3-trimethylbutane).
Chemical shifts (a) to (d) on the C-13 NMR
spectrum diagram for 2,2,3-trimethylbutane.
The carbon-13 NMR spectra a provides direct evidence of
4 different carbon atom environments for the 7 carbon atoms in the
2,2,3-trimethylbutane molecule,
deduced from the presence of 4 different 13C chemical
shifts (ppm).
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Comparing the
1H NMR and 13C NMR spectra of the nine alkane structural isomers of C7H16
You can distinguish all 9 isomers from a data combination of their number of
1H NMR
chemical shifts,
and their resulting integrated 1H proton ratios, plus, their number of
13C
chemical shifts. |
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Name of the alkane structural isomer of molecular
formula C7H16 |
Abbreviated structural formulae
of the nine isomers of molecular formula C7H16 (interpretation complications with 3-methylhexane and
2,3-dimethylpentane because they exhibit R/S isomerism due to a
chiral carbon) |
Skeletal formula of the
nine
alkane isomers of
molecular formula C7H16 |
Number of 1H NMR chemical shifts (δ) and
proton ratio (links
to spectrum) |
Number of 13C chemical shifts (δ)
(links
to spectrum) |
| heptane |
 |
 |
4 δ: proton ratio: 3:2:2:1 (6:4:4:2 in the molecule) |
4 δ shifts |
| 2-methylhexane |
 |
 |
6 δ: proton ratio :
6:3:2:2:2:1 |
6 δ shifts |
| 3-methylhexane |
 |
 |
7 δ: proton ratio:
3:3:3:2:2:2:1 (simplification) !!! |
7
δ shifts |
| 3-ethylpentane |
 |
 |
3 δ: proton ratio:
9:6:1 |
3 δ
shifts |
| 2,2-dimethylpentane |
 |
 |
4 δ: proton ratio:
9:3:2:2 |
5 δ shifts |
|
2,3-dimethylpentane |
 |
 |
6 δ: proton ratio:
6:3:3:2:1:1 (simplification) !!! |
6 δ
shifts (simplification) !!! |
|
2,4-dimethylpentane |
 |
 |
3 δ: proton ratio:
12:2:2 |
3 δ
shifts |
| 3,3-dimethylpentane |
 |
 |
3 δ: proton ratio:
3:3:2 (6:4:4 in the molecule) |
4 δ
shifts |
| 2,2,3-trimethylbutane |
|
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3 δ: proton ratio:
9:6:1 |
4 δ shifts |
Key words & phrases: C7H16 Interpreting the C-13 NMR spectra of
2,2,3-trimethylbutane, C-13 nmr spectrum of 2,2,3-trimethylbutane, understanding the
carbon-13 nmr spectrum of 2,2,3-trimethylbutane, explaining the line pattern in the high
resolution C-13 nmr spectra of 2,2,3-trimethylbutane, revising the C-13 nmr spectrum of
2,2,3-trimethylbutane, ppm
chemical shifts of the C-13 nmr spectrum of 2,2,3-trimethylbutane, how to construct the diagram of
the C-13 nmr spectrum of 2,2,3-trimethylbutane, how to analyse the chemical shifts in the
carbon-13 NMR spectrum of 2,2,3-trimethylbutane deducing the chemical environment of all the
carbon atoms in 2,2,3-trimethylbutane examining the c13 nmr spectrum of
2,2,3-trimethylbutane analysing the
13-c nmr spectrum of 2,2,3-trimethylbutane how do you sketch and interpret the C-13 NMR spectrum
of 2,2,3-trimethylbutane interpreting interpretation of the C-13 NMR spectrum of
2,2,3-trimethylbutane
13C NMR spectrum of 2,2,3-trimethylbutane (CH3)3CCH(CH3)2 (H3C)3CCH(CH3)2
Molecular structure diagram of the
carbon-13 NMR diagram for the 13C NMR spectrum of 2,2,3-trimethylbutane. Deducing the number
of different chemical environments of the carbon atoms in the
2,2,3-trimethylbutane molecule
from the 13C chemical shifts in the carbon-13 NMR spectrum of
2,2,3-trimethylbutane. Revision
notes on the carbon-13 NMR spectrum of 2,2,3-trimethylbutane. Matching and deducing the
structure of the 2,2,3-trimethylbutane molecule from its 13C NMR spectrum.
Carbon-13 NMR spectroscopy of aliphatic alkanes,
13C NMR spectra of 2,2,3-trimethylbutane, a structural isomer of molecular formula
C7H16
Links associated
with 2,2,3-trimethylbutane
The chemistry of ALKANES
revision notes INDEX
C-13
NMR spectroscopy index
ALL SPECTROSCOPY INDEXES
All Advanced Organic
Chemistry Notes
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Infrared spectra of the isomers of C7H16
The infrared
spectrum of heptane
The
infrared spectrum of 2-methylhexane
The
infrared spectrum of 3-methylhexane
The
infrared spectrum of 3-ethylpentane
The infrared spectrum of
2,2-dimethylpentane
The infrared spectrum of
2,3-dimethylpentane
The infrared spectrum of
2,4-dimethylpentane
The infrared spectrum of
3,3-dimethylpentane
The infrared spectrum
of 2,2,3-trimethylbutane
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Mass spectra of the isomers of C7H16
The mass
spectrum of heptane
The mass
spectrum of 2-methylhexane
The mass
spectrum of 3-methylhexane
The
mass spectrum of 3-ethylpentane
The mass spectrum of
2,2-dimethylpentane
The mass spectrum of
2,3-dimethylpentane
The mass spectrum of
2,4-dimethylpentane
The mass spectrum of
3,3-dimethylpentane
The mass
spectrum of 2,2,3-trimethylbutane
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H-1 proton NMR spectra of ALKANES
1H NMR spectra of the isomers of C7H16
The H-1 NMR
spectrum of heptane
The
H-1 NMR spectrum of 2-methylhexane
The
H-1 NMR spectrum of 3-methylhexane
The
H-1 NMR spectrum of 3-ethylpentane
The H-1 NMR spectrum of
2,2-dimethylpentane
The H-1 NMR spectrum of
2,3-dimethylpentane
The H-1 NMR spectrum of
2,4-dimethylpentane
The H-1 NMR spectrum of
3,3-dimethylpentane
The H-1
NMR spectrum of 2,2,3-trimethylbutane
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C-13 carbon-13 NMR spectra
of ALKANES
13C NMR spectra of the isomers of C7H16
The C-13 NMR
spectrum of heptane
The
C-13 NMR spectrum of 2-methylhexane
The
C-13 NMR spectrum of 3-methylhexane
The
C-13 NMR spectrum of 3-ethylpentane
The C-13 NMR spectrum of
2,2-dimethylpentane
The C-13 NMR spectrum of
2,3-dimethylpentane
The C-13 NMR spectrum of
2,4-dimethylpentane
The C-13 NMR spectrum of
3,3-dimethylpentane
The
C-13 NMR spectrum of 2,2,3-trimethylbutane
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