A table representing the chemical shift ranges for all carbon atoms with varying -substituents (one sphere HOSE codes) has been generated from a collection of 58 000 reference spectra, providing an overview of the influence of substitution on 13C NMR chemical shifts.doi:10.1002/mrc.1260230413...
View entire compound with spectra: 1 NMR SpectraBase Compound ID 1aomB1gowZ2 InChI InChI=1S/C26H34O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-18,20-21,23,30H,1,8-10H2,2-7H3/t15-...
View entire compound with spectra: 3 NMR, and 1 MS (GC) SpectraBase Compound ID 2cjU0gdn2dF InChI InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H...
4.5ChemicalShiftEquivalence CSE=Interchangeabilitybyasymmetryoperationorbyrapidmechanism.Ex.TheCH3groupsoft-ButylalcoholareCSEduetorapidrotation 4.5CSEcontinued 75.5MHzC/C’coincident 150.9MHzC/C’areresolved 1Hand13CNMRcompared:13CrequiresFT-NMRbecausethesignalforacarbonatomis10-4timesweakerthanthesignalfor...
15, No. 12, pp 859-868 (1983) 13C NMR Chemical Shifts in Polypropylene and the Hi-Catalytic Propagation Mechanism in Polymerization Shan-Nong ZHU, Xiao-Zhen YANG, and Riichiro CHOJ6* Institute of Chemistry, Academia Sinica, Beijing (Peking), People's Republic of China *Department of ...
ChemInform Abstract: 13C‐NMR Chemical Shifts of Diphenylethynes (I). Studies of Substituent Effects on Acetylenic Carbons Using 13C‐Enrichment.magnetic resonance, nuclear quadrupole resonance (organic substances)ChemInform is a weekly Abstracting Service, delivering concise information at a glance that ...
NMR化学位移 1. NMR chemical shifts of C8 adduct in the reaction of guanosine with N-acetyl-4-biphenyl nitrenium ion were studied using ab initio calculations. 利用从头计算方法计算了鸟苷与联苯酰基胺离子反应生成C8加成物的NMR化学位移,结果与实验所测到的NMR化学位移符合得很好,并且根据原子键电负性均...
Theoretical studies on structures, 13C NMR chemical shifts, aromaticity, and chemical reactivity of finite-length open-ended armchair single-walled carbon ... The geometries, chemical shifts, aromaticity, and reactivity of finite-length open-ended armchair single-walled carbon nanotubes (SWCNTs) ...
Conformation-dependent <SUP>13</SUP>C chemical shifts of poly(L-valine), poly(L-isoleucine), and poly(Lleucine) of α-helix and β-sheet forms in solid state were measured by cross polarization/magic angle spinning (CP/MAS) NMR spectroscopy. It is found that <SUP>13</SUP>C shifts of...
A regular convergence of selected structural, NMR, and Raman parameters with the molecular system size increase was observed, and a simple two-parameter mathematical formula enabled their estimation in infinity. The predicted 13C NMR chemical shifts of carbon atoms close to the substituted rim of ...