Does ACD/HNMR take solvent effects into account when generating predicted spectra?
ACD/HNMR calculations assume an aprotic/non-polar, non-aromatic solvent (e.g. CCl4, CDCl3). This is because our calculations involve algorithms based on large numbers of compiled spectral data drawn from the public domain. Unfortunately, not enough published data for structures in polar, protic and aromatic solvents (e.g. C6D6, CD3OD) exists for us to produce accurate enough algorithms. As we compile more data this may change with time.
Related Questions
- How come there is a drop-down menu that allows me to specify a particular solvent for calculations in ACD/CNMR but not in ACD/HNMR?
- Can I view the experimental spectrum on the same screen as ACD/Labs predicted spectrum?
- Does ACD/HNMR take solvent effects into account when generating predicted spectra?
