ACD/HNMR DB

What's New

Version 11.0 to 12.0

• Database contents have increased to 210,700 chemical structures with 1,755,262 ¹H chemical shifts
• Use the Structure Exchange tool to update or change a structure in the database, retaining existing assignments

Version 10.0 to 11.0

• Internal database expansions
  • Database now contains 1,666,199 ¹H chemical shifts (202,200 chemical structures)
• Search homonuclear correlations (when combined with CNMR DB, heteronuclear correlations can be searched as well)
• Color highlight search matches in database

Version 9.0 to 10.0

• Database contents have increased to 193,000 chemical structures with more than 1,578,000 ¹H chemical shifts and more than 568,000 coupling constants
• Search databases by 2D chemical shift correlations

Version 7.0 to 8.0

Content/Library

• Prediction databases expanded with critically evaluated chemical shifts and coupling constants
  • An additional 10,000 entries in HNMR DB
  • HNMR DB is now 165,000+

Databasing

• Search substructures with a predefined location of the chemical shift or value
  • Substructure search conditions also include coupling constants
• Sort the chemical shift search results by Hit Quality Index (HQI)
• Search spin-system chemical shifts
  • Search chemical shifts that are next to each other

Version 6.0 to 7.0

Content/Library

• Prediction databases expanded
  • An additional 15,000 entries in HNMR DB
  • HNMR DB is now 155,600+

Databasing

• Create complex Boolean search queries
  • Expanded list of search conditions also includes Exists, Equals To, More Than, Less Than, and In Range