Unityplus 500 mhz

All commercial materials (solvents, reagents, and substrates) were used as received. SilicaFlash silica gel, P60, 40–63 µm particle size (SiliCycle) was used for column chromatography. High-performance liquid chromatography was performed on a PerkinElmer Series 200 pump with a Waters 2487 Dual λ Absorbance Detector connected to an eDAQ PowerChrom 280 recorder. One-dimensional ¹H and ¹³C NMR spectra were recorded on a Varian UnityPlus 500 MHz or Varian Mercury 400 MHz spectrometer. Chemical shifts are reported in ppm, and the signals were referenced to residual undeuterated solvent signals. Mass spectra were recorded using an Agilent 6538 mass spectrometer with a Q-TOF ionization source or a JEOL AccuTOF mass spectrometer with a DART ionization source.

For the ¹H NMR experiment, the O-PS samples were deuterium-exchanged by freeze-drying from D₂O and then examined in 99.98% D₂O using acetone (δ_H 2.225) as an internal or external standard. ¹H NMR spectra were recorded on a Varian Unity plus 500 MHz instrument with standard Varian software (the O-PSs of the WT and mutant NZP2213.1 strains) or a Bruker 500 MHz instrument (Ascend 500) with standard Bruker software (complemented NZP2213.1 O-PS).

Molar volumes were calculated with ChemSketch software (2015). NMR spectra were recorded with an NMR spectrometer Varian Unity Plus 500 MHz. Characteristics of the investigated compound are presented in Table 1.