The calculation of chemical shift values by the method used in Part I has been extended to a derivation of the shielding effect of the ketonic CO group. The calculations include consideration of both the magnetic anisotropy screening and the electric field screening effect in this substituent. ...
The chemical shifts thus obtained are, on the whole, very similar to those for the other solvents. which reproduces the measured values to better than 1 Alternatively, we suggest the use of dioxane when the ppb. For the0-50oC range, the simpler methanol peak is expected to fall in a ...
129Xe NMR129Xe chemical shift valuesorganoxenon saltsxenon difluorideThe dependence of the 129Xe NMR chemical shift value of XeF2 on temperature and concentration was determined in a variety of prototypic media: in acidic (anhydrous HF, aHF), nonprotic but polar (dichloromethane), and basic (CD3...
obtainedintoluene-d8tothatinC6D6,itwasdiscoveredthatthe1HNMRchemicalshifts foraceticacid(CH3),acetonitrile(CH3)andtert-butylalcohol(OH)inC6D6hadeach beenmisreportedat1.55ppmintheoriginalpaper;thevalueshavenowbeencorrectly listedas1.52,0.58,and0.63ppm,respectively.Theoriginalpaper'sassignmentsfor BHT'sC(...
Also, the isotropic chemical shift for the carbon-coordinated aluminium in Al4C3 could be determined, being in the range of 111 to 120 ppm. This is somewhat larger than those shift values observed for 27Al in nitrogen coordination.doi:10.1002/zaac.201000445...
From the calculated values for the α, β, γ, δ effects for each substituent it was possible to estimate the chemical shift of each carbon of the compounds 1–3. The 13C chemical shifts of the C-1, C-2, C-3, C-4 of these compounds, can be estimated with good to rasoable ...
31Pchemicalshifts H3PO4=0ppm Allvaluesaregiveninppm Typeshiftranges CPH2-150to-120ppm C2PH-100to80ppm C3P-60to-10ppm C2PHal80to150ppm P(NR)3115to130ppm P(OR)3125to145ppm P(SR)3110to120ppm PHal3120to225ppm P(OR)2Hal140to190ppm CPHal2160to200ppm CPHalN165to185ppm O=PHal3-80to...
Full list of chemical shift values for the trans- and cis-diastereomers of 3-methylcyclohexanol (PDF 4857 kb) Supplementary Data 2 Four Python Scripts A-D (names in parentheses below) that are helpful in automating aspects of the procedure that are otherwise laborious and tedious. These are use...
In contrast, (16) (R = Ph) exhibited an upfield chemical shift at δ 156 ppm. Measurements on several 5-(monosubstituted)-amino-1,2,3,4-thiatriazoles gave values from 173.1 to 179.4 ppm demonstrating that they exist in the amino form (at least in solution by NMR) even with strongly ...
31Pchemicalshifts H3PO4=0ppm Allvaluesaregiveninppm Typeshiftranges CPH2-150to-120ppm C2PH-100to80ppm C3P-60to-10ppm C2PHal80to150ppm P(NR)3115to130ppm P(OR)3125to145ppm P(SR)3110to120ppm PHal3120to225ppm P(OR)2Hal140to190ppm CPHal2160to200ppm CPHalN165to185ppm O=PHal3-80to...