Solution-state nuclear magnetic resonance (NMR) spectroscopy is the classical NMR spectroscopy approach used for molecular structure determination, where the experimental sample is studied while ...

The density functional theory (DFT) method was conducted by using the Gaussian16 program. The B3LYP/6-31G(d,p) theoretical model was applied for all of the calculations. A potential energy surface ...

Rigorous quality control methodologies exploiting nuclear magnetic resonance (NMR) and infrared (IR ... The remaining oily liquid was then dissolved in ethyl acetate, and sodium sulfate was added to ...

After the reaction, the mixture was cooled, and ethyl acetate (5 × 3.3 mL) was added to extract the product (isatin) and unreacted starting material (ketal). After extraction, the organic layer was ...

The AVANCE NEO NMR system is an advancement over Bruker ... at an intermediate frequency of 1.852 GHz. Digitally filtered spectra with a sweep width of up to 7.5 MHz can be acquired with the ...