ACD/Spectrus Processor: NMR Capabilities
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ACD/Spectrus Processor NMR Functionality

  • Detailed NMR processing with detailed multiplet reports built and modified on-the-fly.

    Detailed NMR processing with detailed multiplet reports built and modified on-the-fly.

  • Interactive highlighting of the structural features related to each peak.

    Interactive highlighting of the structural features related to each peak.

  • Interactive highlighting of the structural features related to each peak.

    Interactive highlighting of the structural features related to each peak.

  • Interactive highlighting of the structural features related to each peak.

    Interactive highlighting of the structural features related to each peak.

  • The interactive highlighting works for both 1D and 2D NMR data.

    The interactive highlighting works for both 1D and 2D NMR data.

  • With one click, gain confirmation of the correspondence between experimental data and the proposed structure.

    With one click, gain confirmation of the correspondence between experimental data and the proposed structure.

  • The results confirm the consistency between spectrum and structure, highlighting the relationships between both.

    The results confirm the consistency between spectrum and structure, highlighting the relationships between both.

  • The process also indicates where there are inconsistencies, specifying the problem details.

    The process also indicates where there are inconsistencies, specifying the problem details.

  • The processed data and results can be stored in a searchable database for future reference or re-processing.

    The processed data and results can be stored in a searchable database for future reference or re-processing.

  • Easily navigate through database records.

    Easily navigate through database records.

  • Queried spectra are overlaid against hits from the database for easy comparison.

    Queried spectra are overlaid against hits from the database for easy comparison.

  • Draw a substructure in the drawing interface and search it against the database.

    Draw a substructure in the drawing interface and search it against the database.

  • The database returns results showing hits with the substructure included.

    The database returns results showing hits with the substructure included.

ACD/Spectrus Processor 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

Spectrus Processor provides powerful search and view access to analytical databases. Records are searchable by a variety of structural, spectral and text-based parameters, and search results are overlaid on the query spectrum with color highlighting of matching signals for easy interpretation. For in-house databases, Spectrus Processor offers corporate knowledge-sharing by extending these capabilities with the ability to re-process and re-interpret the data to help answer new questions. Learn more

Third-party NMR databases such as the Aldrich NMR Library and Specs NMR Library can be combined with Spectrus Processor for comprehensive searches.

Complete list of supported file formats for all products.

Vendor File Format Required Parameter Files Optional Parameter Files
ACD/Labs *.spectrus, *.esp, *.txt
Acorn NMR, Inc. *.fid, *.nmr, *.2d
Agilent (Varian, Inc.) data, *.fdf, fid0001.fdf, *.txt, fid, phasefile acq, proc, procpar acq_2, text
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, *.jdf, *.nmfid, *.nmf, *.nmdata, *.nmd, *.gxd, *.bin, *.* (Delta) *.gxp, *.hdr exp.param, exp.par
Lybrics *.*
MSI Felix *.*
Tecmag *.tnt, *.* (MacNMR)
Thermo Scientific† *.spc

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

List of Features

Techniques Included in ACD/Spectrus Processor

See the NMR functionality in action

ACD/Spectrus Processor Demo Movie: Process and Interpret NMR Data
Watch Movie

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