THE ANALYSIS OF NUCLEAR MAGNETIC RESONANCE SPECTRA: IV. FOUR NUCLEI: AB3

1958 ◽  
Vol 36 (9) ◽  
pp. 1302-1307 ◽  
Author(s):  
R. J. Abraham ◽  
J. A. Pople ◽  
H. J. Bernstein

The proton magnetic resonance spectrum of methyl mercaptan has been analyzed on the basis of the nuclear grouping AB3. The spectrum calculated for [Formula: see text] agrees very well with that observed.


1969 ◽  
Vol 22 (6) ◽  
pp. 1199 ◽  
Author(s):  
GF Katekar ◽  
AG Moritz

The proton magnetic resonance spectrum at 60 MHz of pyrrole, spin- decoupled from 14N, has been studied under high resolution. Similar studies have been made on [N-D]pyrrole in which the proton spectrum was obtained simultaneously spin-decoupled from both the 14K and 2H nuclei. Analysis of the 13C-H spectra of pyrrole and [N-D]pyrrole, observed in natural abundance, gave values for all six proton-proton spin-spin couplings. Values for some of the couplings have been obtained directly and unambiguously from the spectra of samples of [S-H]pyrrole and [N- D]pyrrole in which the C-H protons have been predominantly exchanged for deuterium. The values for the couplings derived are J1,2 2.60, J1,3 2.45, J2,3 2.69, J2,4 1.44, J2,5 1.87, and J3,4 3.34 Hz.



In an extension of studies on the exchange of meso-hydrogen in porphyrins and reduced porphyrins (R. Bonnett & G.F. Stephenson, unpublished results) the nuclear magnetic resonance spectra of natural corrinoid derivatives have been investigated. Since it was hoped to observe a signal due to the CIO proton a nucleotide-free compound was desirable, and the hexacarboxylic acid (8-amino- cobyrinic acid c-lactam), prepared by the method of Bonnett, Cannon, Johnson & Todd (1957), was selected.



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