- Wiley RAMAN and IR Spectra
- ChemPlanner – Automatically Rerun Retrosynthesis Plan when No Solutions Are Found with Non-Rare Rules
- Sort Substances by CAS RN and Molecular Weight Ascending/Descending
- Display Component RN in Substance Details and Exports
Wiley RAMAN and IR Spectra
Additional 1H- and 13C-NMR are now available in CAS SciFindern. The total Wiley experimental spectra available for the following types is currently:
- RAMAN – 6,373
- IR – 42,733
ChemPlanner – Automatically Rerun Retrosynthesis Plan when No Solutions Are Found with Non-Rare Rules
If a retrosynthesis plan is submitted with the search option of Common or Uncommon rules selected and no predicted results are found, the predicted plan is automatically rerun using Rare rules. In this case, the history entry is updated with an indication that the plan was rerun.
Additionally, the retrosynthesis plan UI was updated to include the plan search options on the Overview tab, including the Edit Plan Options link that was moved from the header of the plan. If the plan has been rerun with Rare rules, clicking the Plan Options page and the PDF export also indicate that Rare rules were employed for the current retrosynthesis search results.
Sort Substances by CAS RN and Molecular Weight Ascending/Descending
Substance result sets can now be sorted by CAS RN and Molecular Weight, both ascending and descending. Clicking the Substances page Sort drop-down menu provides the following sort options:
- Relevance
- CAS RN: Ascending
- CAS RN: Descending
- Molecular Weight: Ascending
- Molecular Weight: Descending
- Number of References: Ascending
- Number of References: Descending
- Number of Suppliers
Selecting a new sort option immediately updates the result set and returns the user to page 1 of the results. Relevance continues to be the default sort order.
Display Component RN in Substance Details and Exports
When viewing MAF/SAF multicomponent substances in a substance detail, the component RN for the MAF component is now displayed as shown below. Additionally, the component RN displays in PDF exports of the substance detail.
Clicking the component RN opens the substance detail for that component in the same tab. This detail page can also be opened in a new tab or window.