ACD Labs Logo
MENU

ACD/ChemAnalytical Workbook: NMR Functionality

  • Employ detailed NMR processing features, including interactive highlighting of the structural features related to each peak

    Employ detailed NMR processing features, including interactive highlighting of the structural features related to each peak

  • With one click, confirm the consistency between experimental data and proposed structures

    With one click, confirm the consistency between experimental data and proposed structures

  • Easily produce reports describing chemical shifts, assignments, coupling constants, spectra, etc.

    Easily produce reports describing chemical shifts, assignments, coupling constants, spectra, etc.

ACD/ChemAnalytical Workbook is a multi-technique analytical data processing and interpretation application that provides a number of NMR-specific capabilities.

Processing & Interpretation

Structure Verification

Confirm the consistency of chemical structures with experimental data (1D and 2D) with one click. Simply drag-and-drop, or copy and paste, a chemical structure for immediate feedback.

Structure verification using NMR data can be further enhanced with NMR predictors.

Spectral Library Searching

ChemAnalytical Workbook provides powerful database creation and searching capabilities. Store experimental records that include all relevant analytical data, and are searchable by a variety of structural, spectral and text-based parameters. Plus, overlay search results on the query spectrum with color highlighting of matching signals for easy interpretation.

For in-house databases, ChemAnalytical Workbook offers corporate knowledge-sharing by providing the ability to re-process and re-interpret data to help answer new questions. Third-party NMR databases such as the Aldrich NMR Library and Specs NMR Library can also be combined with ChemAnalytical Workbook for comprehensive searches.

Complete list of supported file formats for all products.


Vendor Data Format Required Parameter Files Optional Parameter Files
ACD/Labs *.spectrus, *.gnr, *.esp, *.txt, *.smp    
Acorn NMR, Inc. *.fid, *.nmr, *.2d    
Agilent (Varian) data, *.fdf, fid0001.fdf, *.txt, fid, phasefile, data* (VNMR, VnmrJ, SpinSight) acq, proc, procpar acq_2, text
ASCIIa *.txt; *.prn, *.csv, *.asc    
Bruker *.ser, *.rr, *.fid, *.1r, *.1i,
*.2rr, *.* (DISNMR, UXNMR, XWINNMR, WinNMR, TopSpin)
acqus, procs, acqu2, proc2s, *.fqs, *.fa1, *.fa2, *.fp1, *.fp2 title, intrng, *.tit, *.ti2
Felix *.*    
Galactic *.spc    
Gaussian Output *.log, *.out    
GE  *.raw, *.* (Nicolet)    
*.* (Omega)    
JCAMP *.dx; *.jdx    
JEOL Ltd. *.als, *.jdf, *.nmfid, *.nmf, *.bin, *.nmdata, *.nmd, *.gxd, *.* (Alpha, Generic, Delta, Lambda) *.gxp, *.hdr exp.param, exp.par
Lybrics *.*    
Magritek *.1d; *.2d    
MSI Felix *.*    
Nanalysis *.dx    
Nicolet *.dat    
NUTS *.*    
Oxford Instruments *.fid    
QOneTec *.nmr    
Tecmag *.tnt, *.* (MacNMR)    
Thermo Scientific *.spc    
picoSpin (*.jdx)    

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

List of Features