C-13 nmr spectrum of butan-1-ol analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of 1-butan-ol C13 13-C nmr doc brown's advanced organic chemistry revision notes

Advanced pre-university organic chemistry: ¹³C NMR spectrum of butan-1-ol CH₃CH₂CH₂CH₂OH

HOME PAGE * SEARCH * GCSE Level Chemistry age ~14-16 * Advanced Level Chemistry age ~16-19

Interpreting & explaining the Carbon-13 C13 NMR spectrum of butan-1-ol

(1-butanol, n-butanol, n-butyl alcohol) CH₃CH₂CH₂CH₂OH

[Author © Dr Phil Brown GRIC, PhD: Doc Brown's advanced level organic chemistry exam revision notes suitable for students of UK A level chemistry courses, IB chemistry & US K12 grade 11, grade 12 & AP honors chemistry courses: Molecular spectroscopy of butan-1-ol (1-butanol) [spectrum page updated RE-EDIT]

email doc brown Re-edit 13C spectrum of CH₃CH₂CH₂CH₂OH

This is a BIG website, you need to take time to explore it

Links associated with butan-1-ol * [privacy policy, cookies and disclaimer]

C-13 NMR spectroscopy - spectra index

See also the Isomers of molecular formula C₄H₁₀O (M_r = 74)

Introductory note on the 13C NMR spectrum of butan-1-ol

Students and teachers please note that my explanation of the carbon-13 NMR spectrum of butan-1-ol is designed for advanced, but pre-university, chemistry courses.

The description does not involve the chemical shift δ spin-spin coupling effects for butan-1-ol and the relative size of the carbon-13 NMR shifts does not give the ratio of the carbon atoms in the different non-equivalent chemical environments of the butan-1-ol molecule.

The most common solvent used for investigating the C13 NMR spectrum of compounds like butan-1-ol, is CDCl₃ and other deuterated solvents.

C-13 nmr spectrum of butan-1-ol analysis of chemical shifts ppm interpretation of C-13 chemical shifts ppm of 1-butanol C13 13-C nmr doc brown's advanced organic chemistry revision notes

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 shifts, called chemical shifts, depend on the individual (electronic) chemical environment of the ¹³C atoms in an organic molecule - butan-1-ol here.

Butan-1-ol C₄H₁₀O , .

The molecular structure and naming of aliphatic alcohols and ethers
Interpreting the C-13 NMR spectrum of butan-1-ol (1-butanol, n-butyl alcohol)

As you can see from the diagram above there are 4 different chemical shift lines in the C-13 NMR spectrum of butan-1-ol indicating 4 different chemical environments of the carbon atoms.

CH₃CH₂CH₂CH₂OH

(Note the 4 colours indicating the 4 different chemical environment of the carbon atoms in butan-1-ol).

¹³C chemical shifts (a) to (d) on the C-13 NMR spectrum diagram for butan-1-ol.

(a) δ 13.9 ppm for the CH₃ carbon farthest from the OH group.

The smallest chemical shift for the carbon atom farthest from the oxygen atom.

(b) δ 19.1 ppm for the CH₂ carbon

(c) δ 34.9 ppm for the 2nd CH₂ group carbon next to the -CH₂OH grouping.

Note the effect on the C-13 NMR shift of the very electronegative oxygen.

(d) δ 62.3 ppm for the carbon of the -CH₂OH group, the nearest to the OH group

Note the decreasing effect on the chemical shift (less downfield) as the carbon atom is further from the highly electronegative oxygen atom of butan-1-ol.

The carbon-13 NMR spectra a provides direct evidence of 4 different carbon atom environments in the butan-1-ol molecule from 4 different chemical shifts (ppm).

Adding D₂O to the sample under investigation, dissolved in CDCl₃, makes no difference to the 13C NMR spectrum of butan-1-ol because 13C NMR does not detect proton resonances!

Key words & phrases: 1-butanol n-butyl alcohol Interpreting the C-13 NMR spectra of butan-1-ol, C-13 nmr spectrum of butan-1-ol, understanding the carbon-13 nmr spectrum of butan-1-ol, explaining the line pattern in the high resolution C-13 nmr spectra of butan-1-ol, revising the C-13 nmr spectrum of butan-1-ol, ppm chemical shifts of the C-13 nmr spectrum of butan-1-ol, how to construct the diagram of the C-13 nmr spectrum of butan-1-ol, how to analyse the chemical shifts in the carbon-13 NMR spectrum of butan-1-ol deducing the chemical environment of all the carbon atoms in butan-1-ol examining the c13 nmr spectrum of butan-1-ol analysing the 13-c nmr spectrum of butan-1-ol how do you sketch and interpret the C-13 NMR spectrum of butan-1-ol 1-butanol n-butyl alcohol How do you interpret the chemical shifts of the C-13 NMR spectrum of 1-butanol butan-1-ol How to interpret the C-13 NMR spectrum of 1-butanol butan-1-ol Explanatory diagram of the 13C C-13 carbon-13 NMR spectrum of the 1-butanol butan-1-ol molecule in terms of its molecular structure. Listing data of all the chemical shift peaks in ppm in the carbon-13 NMR spectrum of 1-butanol butan-1-ol. How to explain the C-13 NMR spectrum of 1-butanol butan-1-ol. How to deduce the number of different carbon atom environments in the 1-butanol butan-1-ol molecule from its carbon-13 NMR spectrum to help work out the molecular structure of the 1-butanol butan-1-ol molecule? The uses and distinctive features of the carbon-13 NMR spectrum of the 1-butanol butan-1-ol molecule explained. What do the number and values of the chemical shifts from the c-13 carbon-13 NMR spectrum tell us about the 1-butanol butan-1-ol molecule? How do you interpret the chemical shifts of the C-13 NMR spectrum of butan-1-ol 1-butanol How to interpret the C-13 NMR spectrum of butan-1-ol 1-butanol Explanatory diagram of the 13C C-13 carbon-13 NMR spectrum of the number of different carbon atom environments in the butan-1-ol 1-butanol molecule from its carbon-13 NMR spectrum to help work out the molecular structure of the butan-1-ol 1-butanol molecule? The uses and distinctive features of the carbon-13 NMR spectrum of the butan-1-ol 1-butanol molecule explained. What do the number and values of the chemical shifts from the c-13 carbon-13 NMR spectrum tell us about the butan-1-ol 1-butanol molecule? explaining the decoupled carbon-13 NMR spectrum of butan-1-ol 1-butanol with a detailed interpretation diagram of all the C-13 chemical shifts and intensities

Links associated with butan-1-ol

The infrared spectrum of butan-1-ol (1-butanol)

The mass spectrum of butan-1-ol (1-butanol,)

The H-1 NMR spectrum of butan-1-ol (1-butanol)

The chemistry of ALCOHOLS revision notes INDEX

C-13 NMR spectroscopy index

ALL SPECTROSCOPY INDEXES

All Advanced Organic Chemistry Notes

Use My Google search site box

Email doc b: chem55555@hotmail.com

Index of my advanced (pre-college/university) organic chemistry revision notes

Index of all my spectroscopy pages

Index of all my isomerism pages
The chemistry of alkanes and the petrochemical industry

The chemistry of alkenes
The chemistry of haloalkanes
The chemistry of alcohols
The chemistry of aldehydes and ketones
The chemistry of carboxylic acids and derivatives
The chemistry of organo-nitrogen compounds

The chemistry of aromatic compounds

Website content © Dr Phil Brown 2000+. All copyrights reserved on revision notes, images, quizzes, worksheets etc. Copying of Doc Brown's pre-university advanced level chemistry website material is NOT permitted. Exam revision summaries & references to science course specifications are unofficial. These organic chemistry revision notes on spectroscopy (on the 13C NMR spectrum of butan-1-ol, detailed analysis, diagnostic features, data analysed, useful 13C NMR spectra exam revision comments) suitable for use of pre-university students studying AQA advanced level chemistry, Edexcel advanced level chemistry, OCR advanced level chemistry, IB advanced level chemistry, WJEC (Eduqas) advanced level chemistry, CIE advanced level chemistry, CCEA advanced level chemistry, US grade 11-12 AP honors chemistry courses and they will also prove useful to 1st year undergraduate students of chemistry.