NMR chemical shift tables

The nB NMR chemical shifts (Table 3.13) demonstrate that the boron atom in all known nitronates is tetracoordinated, that is, it is additionally coordinated by... 

The 119Sn NMR chemical shifts (Table 7) seem not to be correlated to the negative charge on the metal. Moreover, the 207Pb resonance of Pl Pb- appeared at an extremely low field shift (+1040 to +1060 ppm)116 (Table 7). 

For several of the siliconium salts crystal structure analyses were obtained, confirming the pentacoordination and the ionic nature of the compounds (well separated cations and anions). The crystal structures for 90a(OTf), 90c(OTf), 91a(OTf), 91a(AlCl4), and 93a(OTf) are depicted in Figs. 47-51, respectively. Further structural support is found in the 29Si NMR chemical shifts (Table XXVI). A remarkable observation in Table XXVI is the nearly equal 29Si chemical shifts of siliconium salts sharing the same silicon complex, but with different anions [e.g. 91a(OTf), 91a(Br), and 91a(AlCl4)] the equal shifts are the evidence that the siliconium cations are essentially independent of... 

The B" NMR chemical shifts (Table II) of the methylated diboranes exhibit two major trends (128), First, alkyl groups tend to shift the resonance absorption of attached boron nuclei to lower field (about 4 ppm per alkyl group). Second, unsymmetrical substitution promotes a more pronounced shift to lower field for the more substituted boron, as well as a shift to higher field for the less substituted boron. Quantitatively, about 6 ppm is added or subtracted when the two parts of the molecule differ by one alkyl group this value is doubled to about 12 ppm for a difference of two alkyl groups. 

Table 1. H-nmr Chemical Shifts for Indole and C-nmr Chemical Shifts for Indole...

Table 8. Proton Nmr Chemical Shifts of Methylene Groups in Phenolic Resins...

Table 2. H-Nmr Chemical Shifts for Selected Pyrazolones and Pyrazolines ...

Table 9. and Nmr Chemical Shifts, ppm, and Coupling Constants, for Cellulose Triacetate, Cellulose Tripropionate, and Cellulose Tributyrate ... 

Table 14 C NMR Chemical Shifts for Nitrogenous Azoles (a) NH Derivatives...

Table 16 NMR Chemical Shifts for Azoles Containing Oxygen ...

Table 19 C NMR Chemical Shifts for Non-aromatic Azoles with Two Ring Double Bonds...

Table 20 C NMR Chemical Shifts for Azolines (Non-aromatic Azoles with One Ring Double Bond)...

Table 4 H NMR Chemical Shifts of Isothiazoies and Isothiazole Cations...

Table 8 NMR Chemical Shifts of 2,1-Benzisothiazoles in CDCI3 <75CJC836)...

Another important component of Table 18 is substituent chemical shift (SCS) datadenvedforeachoftheSlentnes The SCS is simply thedifferencein F-NMR chemical shifts of the substituted compounds and that of unsubstituted fluoroben zene (-113 5 ppm in CDCI3) These values numerically represent the mfluence a substituent has on the shieldmg or deshieldmg of the fluorine nucleus and depend upon substituent position o, m, orp) Fluonne chemical shifts can be predicted for polysubstituted fluorobenzene systems simply by addmg the SCS value of each substituent to a base value of -113 5 ppm... 

Table I. NMR Chemical Shifts of 1-Methyl-3-Hydroxypyridinium Iodide AND FPi 26a...

Table III. NMR Chemical Shifts of the Isoquinolinium Moiety of Dehydrodiscretamine 72, Stepharidine 76, and the Fenfangjines D 79, H 80, AND I 81 (Isoquinoline Numbering)...

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