the 1h and natural-abundance 13c-nmr spectra of 1-thiacyclooctan-3-one (1) have been measured from 25 to -100°c. coalescence is observed in the 1h-nmr spectra of (1) at about -80°c, and attributed to ring inversion in a boat-chair conformation, which is the predominant conformation of (1). the free energy of activation (dg¹) for this process is 9.2±0.2 kcal/mol. the 13c-nmr spectra of (1) is te...

body's iterative force-field computer program has been used to calculate strain energies in cyclooctanone (i). 348 mhz 1h nmr spectra of (i) have been investigated over the temperature range of 25° to -160°c. two conformation processes affect the 1h nmr spectrum of (i). iterative force-field calculations on the conformations and conformational interconversion paths of (i) give results consisten...

1H NMR spectra were recorded of methanolic extracts of seven soybean varieties (Glycine max.), cultivated using traditional and organic farming techniques. It was possible to identify signals belonging to the groups of amino acids, carbohydrates, organic acids and aromatic substances in the spectra. In the aromatic zone, the isoflavone signals were of particular interest: genistein, daidzein, g...

the coupling of tetrazotised 1,8-diaminonaphthalene with 1,3-dicarbonyl compounds [acetylacetone,methylacetoacetate and acetoacetanilide] yielded a new series of tetradentate ligand systems. analytical, ir,1h nmr and mass spectral data indicate that the compounds exist in the intramolecularly hydrogen bondeddihydrazone form. dibasic tetradentate n2o2 coordination of these compounds in their [ml...

Peach cultivars contribute to unique product characteristics and may affect the degree of browning after high-pressure processing (HPP). Nine peach cultivars were subjected to HPP at 0, 100, and 400 MPa for 10 min. Proton nuclear magnetic resonance (1H NMR) relaxometry, light microscopy, color, polyphenol oxidase (PPO) activity, and total phenols were evaluated. The development of enzymatic bro...

The title compound, 5-(1H-indol-3-yl)-1-methyl-3-phenyl-1,6-benzodiazocin-2(1H)-one, was synthesized for the first time by a one-step, two-component reaction between 1-methylbenzimidazole and benzoylindolyl-3-acetylene. product characterized 1H-NMR, 13C-NMR, IR spectroscopy HRMS.

The aerial parts of Inula verbascifolia afforded two new guaianolide-type sesquiterpene lactones. Their structures were determined by spectroscopic methods (IR, MS, 1H NMR, 13C NMR, DEPT, 1H-1H COSY, HMQC, and HMBC).

The 1H and 13C NMR spectra of the neo-clerodane diterpenoid scutecyprin were completely assigned by using a combination of 2D NMR experiments, which included 1H-1H COSY, HSQC, HMBC and NOESY sequences.

3-1. 1a–Pd Complexes 8 3-1-1. Detailed NMR of 1a for peak assignments 8 3-1-2. Detailed NMR of 1a/Pd for peak assignments 10 3-1-3. Detailed NMR of (1a)2/Pd for peak assignments 13 3-1-4. Stacked 1H and 13C NMR of 1a, 1a/Pd, and (1a)2/Pd 17 3-2. 1b–Pd Complex 19 3-2-1. Detailed NMR of 1b for peak assignments 19 3-2-2. Detailed NMR of (1b)2/Pd for peak assignments 23 3-2-3. Stacked 1H and 13C NM...