Prediction carbon

Bremser produced tables of these HOSE codes from NMR work that was carried out at BASF in Germany. Most modern carbon prediction routines still use this HOSE code today (albeit slightly modified from the original). Modem software hides all the HOSE code generation in the background so all you do is draw a structure and press the predict button and all the chemical shifts are calculated. 

Modem carbon prediction software has hundreds of thousands of chemical structures to call on (Bremser had about 10000 when he started). The more structures you have, the better the chance that something similar to your structure will be in the database - and the better the quality of the chemical shift... 

ACD/Labs have an extensive database which uses this approach. This approach works well except for anisotropic groups. Unlike carbon prediction this can have a massive effect on the chemical shift values and so can give rise to big errors in prediction, even for structural fragments that are well represented in... 

Digitalin (A) is related to which D-aldohexose Provide a name for A, including the configuration at the anomeric carbon. Predict the products of the reaction of A with (a) CH3OH, H+ catalyst (b) CH3I, Ag20. 

FIGURE 15.25 Theoretically predicted lines for different /j-chlorophenol concentrations on carbon-predicted from solid line of concentration 400 X 10 kgm . ... 

The risk of carbon (or gum) formation from higher hydroearbons can be analysed separately from the potential for carbon predicted by the principle of equilibrated gas . 

---