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Advanced Organic Chemistry: 1H NMR spectrum of 1,1,1-trichloroethane

Interpreting the H-1 hydrogen-1 (proton) NMR spectrum of 1,1,1-trichloroethane

Doc 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 H-1 NMR spectra of 1,1,1-trichloroethane

1H proton nmr spectrum of 1,1,1-trichloroethane low/high resolution diagrams C2H3Cl3 CH3CCl3 analysis interpretation of chemical shifts ppm spin spin line splitting diagram H1 H-1 nmr for 1,1,1-trichloroethane explaining spin-spin coupling for line splitting doc brown's advanced organic chemistry revision notes

TMS is the acronym for tetramethylsilane, formula Si(CH3)4, whose protons are arbitrarily given a chemical shift of 0.0 ppm. This is the 'standard' in 1H NMR spectroscopy and all other proton resonances, called chemical shifts, are measured with respect to the TMS, and depend on the individual (electronic) chemical environment of the hydrogen atoms in an organic molecule - 1,1,1-trichloroethane here.

The chemical shifts quoted in ppm on the diagram of the H-1 NMR spectrum of 1,1,1-trichloroethane represent the peaks of the intensity of the chemical shifts of (which are often groups of split lines at high resolution) AND the relative integrated areas under the peaks gives you the ratio of protons in the different chemical environments of the 1,1,1-trichloroethane molecule.

1,1,1-trichloroethane  Cl3C-CH3  or  CH3CCl3

Interpreting the H-1 NMR spectrum of 1,1,1-trichloroethane

In terms of spin-spin coupling from the possible proton magnetic orientations, for 1,1,1-trichloroethane I have only considered the interactions of non-equivalent protons on adjacent carbon atoms.

For relatively simple molecules, the low resolution H-1 NMR spectrum of 1,1,1-trichloroethane is a good starting point (low resolution diagram above).

There is only one singlet peak, since the three protons occupy the same chemical environment, AND ...

there are no protons on an adjacent carbon atom, so this single resonance cannot be split, hence the very simple 1H NMR spectrum of 1,1,1-trichloroethane even at high resolution.

(a) 1H Chemical shift for the methyl protons.

CH3CCl3

Evidence for the presence of an 'isolated' alkyl group in the molecule of 1,1,1-trichloroethane


Number of directly adjacent protons 1H causing splitting Splitting pattern produced from the n+1 rule on spin-spin coupling and the theoretical ratio of line intensities
0 means no splitting             1            
1 creates a doublet           1   1          
2 creates a triplet         1   2   1        
3 creates a quartet       1   3   3   1      
4 creates a quintet     1   4   6   4   1    
5 creates a sextet   1   5   10   10   5   1  
6 creates a septet 1   6   15   20   15   6   1

Key words & phrases: C2H3Cl3 Cl3CCH3 CCl3CH3 CH3CCl3 Interpreting the proton H-1 NMR spectra of 1,1,1-trichloroethane, low resolution & high resolution proton nmr spectra of 1,1,1-trichloroethane, H-1 nmr spectrum of 1,1,1-trichloroethane, understanding the hydrogen-1 nmr spectrum of 1,1,1-trichloroethane, explaining the line splitting patterns from spin-spin coupling  in the high resolution H-1 nmr spectra of 1,1,1-trichloroethane, revising the H-1 nmr spectrum of 1,1,1-trichloroethane, proton nmr of 1,1,1-trichloroethane, ppm chemical shifts of the H-1 nmr spectrum of 1,1,1-trichloroethane, explaining and analyzing spin spin line splitting in the H-1 nmr spectrum, how to construct the diagram of the H-1 nmr spectrum of 1,1,1-trichloroethane, how to work out the number of chemically different protons in the structure of the 1,1,1-trichloroethane organic molecule, how to analyse the chemical shifts in the hydrogen-1 H-1 proton NMR spectrum of 1,1,1-trichloroethane using the n+1 rule to explain the spin - spin coupling ine splitting in the proton nmr spectrum of 1,1,1-trichloroethane deducing the nature of the protons from the chemical shifts ppm in the H-1 nmr spectrum of 1,1,1-trichloroethane examining the 1H nmr spectrum of  1,1,1-trichloroethane analysing the 1-H nmr spectrum of 1,1,1-trichloroethane how do you sketch and interpret the H-1 NMR spectrum of 1,1,1-trichloroethane interpreting interpretation of the 1H proton spin-spin coupling causing line splitting in the NMR spectrum of 1,1,1-trichloroethane  assignment of chemical shifts in the proton 1H NMR spectrum of 1,1,1-trichloroethane formula explaining spin-spin coupling for line splitting for 1,1,1-trichloroethane old names functional group


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