Mass spectrometry (m/z) data were acquired by either electrospray ionisation (ESI), chemical ionisation (CI), electron impact (EI), atmospheric solids analysis probe (ASAP), atmospheric pressure chemical ionization (APCI) or nanospray ionisation (NSI) at either the University of St Andrews Mass Spectrometry Facility ( quoted) or at the EPSRC UK National Mass Spectrometry Facility at Swansea University (+ or – quoted). spectrum with line broadening of 0.3 Hz, enhanced correction for Bruker Group. Spectra were recorded of either thin films or solids, with characteristic absorption wavenumbers (νmax) reported in cm–1.ġH, 13C 470 MHz, 11B 160 MHz) in the deuterated solvent stated. The installation of Mnova comes with a set of 1D and 2D NMR, LC/MS data. Infrared spectra were recorded on a Shimadzu IRAffinity-1 Fourier transform IR spectrophotometer fitted with a Specac Quest ATR accessory (diamond puck). We have integrated three new products Mnova ElViS, BioHOS and StereoFitter and fixed several bugs. The new version Mnova 14 is a major release incorporating many new features in most plugins.
Full experimental details for the preparation of each compound can be found the the Supplementary Information of the associated paper. Mnova is a multivendor software suite designed for combined NMR, LC/GC/MS and Electronic & Vibrational Spectroscopic techniques.
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