ACD/Structure Elucidator from ACD/Labs

Description

Computer-assisted structure elucidation software for perform rapid dereplication, advanced verification, fast characterization, and de novo elucidation of complex unknown structures.

Features
  • Resolve structures quickly and confidently by collectively applying all your analytical data in one place
  • Efficiently identify previously characterized strucutres using internal and external libraries
  • Determine relative configuration using NOESY and/or ROESY data
  • Automatically compare predicted and experimental spectra and receive multiple verification metrics
  • Elucidate a wide variety of compound sizes from small designer molecules to large natural products