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ACD/ChemAnalytical Workbook: Optical Functionality

  • Attach chemical structures to a variety of optical spectra and assign peaks to specific fragments

    Attach chemical structures to a variety of optical spectra and assign peaks to specific fragments

  • Compare series of optical spectra via easy-to-interpret overlaid views

    Compare series of optical spectra via easy-to-interpret overlaid views

  • View database search results directly within the processing window for straightforward comparison

    View database search results directly within the processing window for straightforward comparison

ACD/ChemAnalytical Workbook is a multi-technique analytical data processing and interpretation application that provides a number of capabilities specific to those working with Raman; near, far, and mid-IR; UV-Vis; and other optical techniques.

Processing & Interpretation

Structure Verification

Verify chemical structures with experimental IR or Raman spectra using the knowlegebase of spectra-structure correlations.

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. 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.

A number of content databases are included with ChemAnalytical Workbook, allowing you to test the database searching and viewing capabilities:

Database Spectra
IR Assigned Polymers.nd9 87 spectra with partial spectrum-structure assignments
IRDEMO.nd9 14 spectra with partial spectrum-structure assignments
ST Japan IR Demo library
(STJatrdem.nd9)
100 spectra (82 with structures)
Raman Assigned Amino Acids.nd9 27 spectra (approx. 1700 cm-1 to 80 cm-1) with partial spectrum-structure assignments (21 with structures)

See the full listing of Infrared and Raman reference spectra databases from ACD/Labs.

Complete list of supported file formats for all products.


Vendor Data Format Extension Comments
ACD/Labs ACD/Spectrus
ACD/SpecManager
*.spectrus, *.esp  
Agilent HP 84552A *.wav  
ChemStation a *.uv  
Agilent (Varian) Cary UV *.b*; *.d*  
ASCII single, dual and multicolumn   *.txt; *.prn; *.csv; *.asc  
Bruker OPUS *.*  
DeltaNu   *.spc  
Dionex Chromeleon a   via Connect to1 or using an ACD/Chromeleon Add-on
Foss NIRSystems   *.da  
JASCO Corporation J-700 *.jws  
JCAMP, JCAMP multispectra   *.dx; *.jdx  
LabControl   *.uvd; *.irs  
MATLAB DSO a *.mat  
Ocean Optics   *.*  
PerkinElmer Instruments *.sp
Shimadzu Corporation IR *.irs  
Thermo Scientific Galactic *.spc
Mattson *.*  
Nicolet OMNIC *.spa; *.spg  
Waters Corporation Empower 2 and 3   via Connect to1 or using an ACD/Empower Add-on
MassLynx *.inf  

a Diode Array Detector (DAD) support for hyphenated data.
1 Connect to utility requires vendor software on same computer. It doesn’t work in Citrix.

List of Features