Spectroscopy

by CambridgeSoft

Display and perform calculations on multiple chemical structures at a time in Excel. ChemDraw/Excel enables users to use Excel, a familiar data organization tool, to organize and analyze their chemical data. For those looking for compounds or classes of compounds, Filter Tables enable searches for structures and substructures. Similarity Searches search for chemical analogs. The Convert SMILES to Molecule and Convert Name to Molecule features greatly simplify the entry of chemical compounds. This product is ChemDraw Std plus the ChemDraw for Excel feature. ChemDraw/Excel is for Windows only.

(W = Windows Only)

by Spectrum Research, LLC

CHORDS (Coherent HOmonucleaR spin Dynamics Simulation) is the ultilmate software which provides an interactive graphical comparison of Spectral simulation.

by Fiveash Data Management

These 3750 spectra were collected at a prestigious Forensic laboratory and represent over-the-counter drugs, pharmaceuticals, controlled substances, intermediates, excipients and fillers. FTIR spectra is ideal for Forensic FTIR users and those in need of a database suitable for general reference in academic and industrial FTIR labs.

by Thermo Galactic

GRAMS/AI is a comprehensive data processing and data management software package that can work with data files from multiple techniques including UV, UV/VIS, IR, FT-IR, NIR, NMR, LC, GC, HPLC, DAS, CE, Mass Spec, and Raman. GRAMS/AI’s advanced data processing capabilities and its ability to handle all types of spectral and chromatographic data from virtually any analytical instrument set the industry standard in scientific software.

by Spectrum Research, LLC

IQ-NMR provides an interactive graphical tool for NMR spectroscopists working with a variety of 1D NMR data.

by Spectrum Research, LLC

Designed to work like a human spectroscopist, NMR-SAMS (NMR-Spectral Assignment Made Simple) is an excellent tool for structure elucidation of completely unknown or partially-known small molecules (having less than 128 Carbons).

by Spectrum Research, LLC

NMR-SCAPE performs spectral simulation and prediction of 13C NMR chemical shifts. This ultimate tool allows the user to sketch molecules, or import structures as *.mol files from 3rd-party Chem-sketch programs.

by Thermo Galactic

Spectral ID provides rapid searching of multiple format IR and MS spectral libraries. Spectral ID is a fast and robust 32-bit application with an easy-to-use interface that addresses all your spectral searching needs. With full spectrum search speeds of over 5,000 compounds per second, Spectral ID will save you valuable time. And only Spectral ID supports all the popular commercial libraries including Aldrich, Bio-Rad Sadtler, Chemical Concepts, Nicolet-Aldrich, NIST and Wiley.

by Fiveash Data Management

These 5220 spectra are for GC-IR or TGA-IR analysis with spectra of 4 cm-1 to 8 cm-1 resolution. These data have been individually inspected by experienced spectroscopists to assure high quality. With such a large number of spectra essentially all classes of volatile organic compounds are represented.