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). 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. Infrared spectra were recorded on a Shimadzu IRAffinity-1 Fourier transform IR spectrophotometer fitted with a Specac Quest ATR accessory (diamond puck). Protons may differ in chemical and magnetic equivalence due to. So in order to predict NMR spectra, we should count protons with different magnetic environment. The number of peaks shown by a compound in proton NMR depends on the presence of magnetically non-equivalent protons in the compound. Full experimental details for the preparation of each compound can be found the the Supplementary Information of the associated paper. School of Chemical Sciences College of Liberal Arts & Sciences. How to determine the number of peaks in proton NMR.
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