ACD/1D NMR Assistant

NMR software for synthetic chemists.

ACD/1D NMR Assistant was designed specifically with the chemist in mind. While it includes all of ACD/Labs’ powerful processing features and prediction algorithms for 1D NMR, the interface is simple and offers the functionality and capabilities most suited to a routine non-expert user. You can choose to manually or automatically process and analyze NMR data, and have the software verify your assigned structure-with 1H and 13C NMR predictors running in the background, you will receive a match factor between your experimental spectrum and the predicted spectrum for the proposed structure.

Features

  • Fully process NMR data from all major vendor formats, for 1D 1H, 13C, 15N, 19F, and 31P
  • Assignment assistance—with Multiplet Assignment Preview (MAP) for 1H spectra, hover over a multiplet and get real-time feedback on which atoms should be assigned to it
  • Automatic creation of multiplet reports
  • Assistance in structure verification (for 1H)—automatically confirm whether your proposed structure is consistent with the data, with the option to auto assign for quicker reporting
  • Macro capabilities including templates and macro organizer for completely automated data processing and analysis

Benefits

  • Process NMR data and manipulate spectra at the chemist’s desktop, remote from the instrument
  • Save time on reports, patents, and publications with automatic creation of multiplet reports in standard journal/custom formats
  • An affordable way to provide a complete NMR software package to chemists

Additional Resources

View the Full List of Features

Processing Features

  • Automatically obtain summary information when importing complex vendor formats using multiple directories
  • Preview spectra for import/export
  • Full audit trail feature (History) tracks all applied processing commands
  • Macro capabilities including templates and macro organizer for completely automated data processing
  • Carry out basic spectral manipulations such as Fourier Transform, weighting functions, manual and automated phase correction, baseline correction, and calibration
  • Apply manual and automated peak picking and integration
  • Attach a chemical structure to the spectrum
  • Annotate signals and spectral regions
  • Assign diagonal and cross-peaks to any atom or portion of a chemical structure manually or automatically
  • Set the display mode for each dimension independently (view F1 or F2 in phase-sensitive, magnitude, or power mode)
  • View multiple spectra in Tile or Replace modes
  • Cut and paste into other applications with high resolution
  • Print spectra and create reports

Prediction Features

  • HOSE code and Neural Net prediction algorithms
  • Recognize tautomeric forms
  • Choose from a list of solvents when verifying structure

View the Full List of Supported NMR Formats

Vendor File Format Required Parameter Files Optional Parameter Files
ACD/Labs, Inc. *.esp, *.txt
Acorn NMR, Inc. *.fid, *.nmr, *.2d
ASCII† *.txt; *.prn, *.csv, *.asc
Bruker Corporation ser, rr, .fid, *r, 1i, 2rr,
*.* (DISNMR)		 acqus, procs, acqu2, proc2s, *.fqs, *.fa1, *.fa2, *.fp1, *.fp2 title, intrng, *.tit, *.ti2
GE *.raw, *.* (Nicolet)
JCAMP† *.dx; *.jdx
JEOL Ltd. *.als, *.nmfid, *.nmf, *.nmdata, *.nmd, *.gxd, *.bin, *.* (Delta) *.gxp, *.hdr exp.param, exp.par
Lybrics *.*
MSI Felix *.*
Tecmag *.tnt, *.* (MacNMR)
Thermo Scientific† *.spc
Varian, Inc. data, *.fdf, fid0001.fdf, *.txt, fid, phasefile acq, proc, procpar acq_2, text

† File export is also supported (in the case of JCAMP, for 1D NMR only)

* Only 1D formats are supported