Structure Determination of Organic Compounds: Tables of - download pdf or read online

By E. Pretsch, P. Bühlmann, C. Affolter

This quantity offers within the type of texts, tables, charts and graphs a latest compilation of spectroscopic reference information for IR, UV/Vis, 1H- and 13C-NMR, MS (incl. prototype spectra of virtually each very important type of natural compounds and spectra of MALDI and FAB matrix fabrics) and is meant as a brief textbook and a hands-on consultant for reading experimental spectral facts and elucidating the chemical constitution of the respective compound at the back of it. The concise texts contain particular chapters on fragmentation principles in mass spectrometry and on presently used multipulse and 2-D NMR suggestions. The ebook is basically designed for college students for use in the course of classes and routines. using the publication calls for purely uncomplicated wisdom of spectroscopic options, yet is established in the sort of method that it'll aid practitioners frequently confronted with the duty of reading such spectral info, and it'll function info reference for experts within the fields

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Ppm 6 ~ 2 . ~ dZ 90-92 m$ m/z 127 <- m/z 152, 153 eka Rearrangements uv 1 -200-210 nm (log E -4) -260 nm (log E ~ 2 . 4 ) m/z 152, 165 +. 5 Heteroaromatic Compounds Assignment ar c-x ar C-C Range 120-160 ppm 100-150 ppm H i C ar) 6-9 ppm HiN ar) 7-1 4 ppm ar C-H st ar N-H st ar c-c st ar C-H 6 oop Molecular ion Fragments Comments 13c N M R Coupling constants in 6-membered rings similar to those in aromatic hydrocarbons; in 5-membered heteroaromatic rings smaller Strongly solvent dependent, generally broad IR 3100-3000 cm-l Often multiple bands, weak 3500-2800 cm-l 1600 cm-l Often split, sometimes not all three -1500 cm-l ~ 1 4 5 cm-l 0 bands observable 1000-650 cm-l Often strong, frequently multiple bands - m Strong, often base peak m/z 39, 50-53, Often doubly charged fragment ions 63-65,75-78 [M-26]+', [M-39]+ benzyl-analogous cleavage Rearrangements m/z 45 [CHS]+ 1H N M R Loss of HCN (N-heteroaromatics) Loss of CO (0-heteroaromatics) Loss of CS (S-heteroaromatics) S-Heteroaromatics l + +.

1999, 71, 1593. G. H. Wapstra, The 1995 update to the atomic mass evaluation, Nucl. Phys. 1995, A595, 409. fr>. R. Taylor, Isotopic compositions of the elements 1997, Pure Appl. Chem. 1998, 70, 217. H. Kubinyi, Calculation of isotope distributions in mass spectrometry. A trivial solution for a non-trivial problem, Anal. Chim. Acta 1991, 247, 107. 8 ppm 3000-2840 cm-l ~ 1 4 6 cm-l 0 ~ 1 4 6 cm-l 0 ~ 1 3 8 cm-l 0 770-720 cm-l Molecular ion m/z 14n + 2 Fragments Rearrangements m/z 14n m/z 14n - 2 Comments CH3, CH2, CH, and C can be differentiated by 13C NMR multipulse experiments (DEPT, APT), offresonance decoupling, 2D CH correlation spectra, or based on relaxation times Lower shift values in three-membered rings 1H NMR Lower shift values in three-membered rings Higher frequency in three-membered rings IR Doublet for geminal methyl groups In C-(CH*),-C with n 2 4 at ca.

Materials depleted in 235U are commercial sources of laboratory shelf reagents. 0025 E 1em en t Isotope Si 28Si 29s i 3Osi He ~ 1 3He 4 . 3 Isotope Patterns of Naturally Occurring Elements The mass of the most abundant isotope is given under the symbol of the element. The lightest isotope is shown at the left end of the x axis. 4 Calculation of Isotope Distributions The characteristic abundance patterns resulting from the combination of more than one polyisotopic element can be calculated from the relative abundances of the different isotopes.

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