The 17O NMR spectra for a series of 17O-enriched p-substituted benzoic acids, methyl benzoates, cinnamic acids and methyl cinnamates in acetone at 40掳C are reported. The carboxylic acids showed one signal (benzoic 250.5 ppm, SCS range p-MeO to p-NO2 = 10.5 ppm; cinnamic 254.1 ppm, ...
Cellulose Tris(4-methylbenzoate)1-PhenylethanolHPLCFor investigating the mechanism of chiral recognition by cellulose derivatives, 13C NMR spectra of 1-phenylethanol were measured in CDCl3 in the presence or absence of cellulose tris(4-methylbenzoate) (1). (R)- and (S)-enantiomers of 1-...
Compound METHYL-3,4-DI-[[(2E)-3,7-DIMETHYL-2,6-OCTADIENYL]-OXY]-BENZOATEwith free spectra: 1 NMR.
Figure 1. “Resolved” MIKE spectra of the molecular ions of methyl benzoate 1 (m/z 136) (a); methyl-d3 benzoate 1d3 (m/z 139) (b); methyl benzoate-d5 1d5 (m/z 141) (c). Download: Download full-size image Scheme 2 Such a primary isotope effect indicates that a hydrogen migr...
Compound Benzoic acid, 3-(3-chlorophenoxymethyl)-, methyl esterwith free spectra: 1 NMR, and 1 MS (GC).
PubMed: Mechanism of the aminolysis of methyl benzoate: a computational study. PubMed: Dimethyl ether oxidation at elevated temperatures (295-600 K). PubMed: Some basic parameters of microspheres fabricated from a branched oligoester by a rapid procedure. PubMed: Multiple isotope effect study of...
tructure of methyl 4-(trimethylammonium)benzoate iodide studied by X-ray diffraction, DFT calculations, NMR and FTIR spectra The structure of methyl 4-(trimethylammonium)benzoate iodide, 4-(Me)3N+C6H4CO2MeI−, (1a) has been determined by X-ray diffraction, DFT calculations and ... M Szaf...
In the solid state, complex 1 exists as a one-dimensional polymer where a single benzoate ligand bridges adjacent Sn-centers. The Sn-atom is trigonal bipyramidal with the methyl ligands in the equatorial plane and the axial positions being occupied by the carboxyl O-atom from the carboxylate ...
The solvents employed for taking NMR spectra are acetone-d6 (deuterated acetone). DMSO-d6 (perdeuterodimethylsulfoxide), D2 O (deuterated water), CDCl3 (deuterochloroform) and other conventional deuterated solvents. The infrared (IR) spectral description include only absorption wave numbers (cm-...
Proton nuclear magnetic resonance (1H NMR) spectra were recorded on a Bruker Avance 500, AC-300, Bruker DPX-300 or a Varian Gemini 300 spectrometer. All spectra were determined in CDCl3, CD3OD, d-acetone or DMSO-d6 and chemical shifts are reported in 6 units relative to tetramethylsilane ...