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2. Nuclear magnetic resonance spectra database - Wikipedia

   en.wikipedia.org/wiki/Nuclear_magnetic_resonance...

   In all, this database includes more than 15,000 compounds with the associated 300 MHz 1 H and 75 MHz 13 C spectra. The product includes the software necessary to view and handle the NMR data. This database can be purchased as a library through individual or group contracts. The spectra data appear to be stored as images of processed FID data.

3. List of chemical databases - Wikipedia

   en.wikipedia.org/wiki/List_of_chemical_databases

   Spectra:IR Raman MASS ESR 1 H NMR 13 C NMR SDBS No curated "SDBS". 34,000 Serum Metabolome Database: The Metabolomics Innovation Centre: found in blood serum "Serum Metabolome DB". 4,651 Solvent Selection Tool ACS Green Chemistry Institute: Solvents Principal components analysis of physical properties curated "Solvent Selection Tool". 272 [11 ...

4. List of mass spectrometry software - Wikipedia

   en.wikipedia.org/wiki/List_of_mass_spectrometry...

   Software from Wiley with applications for mass spectrometry including: spectral analysis, database searching (spectrum, structure, peak, property, MS Adaptive Search, etc.), processing, database building (MS or multiple techniques including IR, Raman, NMR, UV, Chromatograms), spectral subtraction, plus tools for reporting and ChemWindow ...

5. Spectral Database for Organic Compounds - Wikipedia

   en.wikipedia.org/wiki/Spectral_Database_for...

   If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]

6. Biological Magnetic Resonance Data Bank - Wikipedia

   en.wikipedia.org/wiki/Biological_Magnetic...

   The site also contains an NMR-STAR template generator which produces formatted tables where NMR data can be entered. [14] NMR time-domain data is uploaded separately via ftp. [15] The BMRB encourages depositors to validate their NMR data before deposition, using one of the validation tools available at the BMRB site, to check for ...

7. RefDB (chemistry) - Wikipedia

   en.wikipedia.org/wiki/RefDB_(chemistry)

   All chemical shifts in RefDB have been computationally re-referenced to DSS (a common NMR chemical shift standard). [1] RefDB is a continuously updated resource that uses web-bots to query public databases (BMRB, GenBank, Protein Data Bank) and fetch assignment, sequence and structure data on a weekly basis.

8. Spartan (chemistry software) - Wikipedia

   en.wikipedia.org/wiki/Spartan_(chemistry_software)

   Available spectra data and plots for: Infrared spectroscopy (IR) spectra. Fourier transform spectroscopy (FT-IR) [79] Raman spectroscopy (IR) [80] Nuclear magnetic resonance (NMR) spectra. 1 H chemical shifts [81] [82] and coupling constants (empirical) 13 C chemical shifts, [81] [82] Boltzmann averaged shifts, and 13 C DEPT spectra; 2D H vs H ...

9. File:1H NMR Ethanol Coupling shown.svg - Wikipedia

   en.wikipedia.org/wiki/File:1H_NMR_Ethanol...

   The following other wikis use this file: Usage on de.wikipedia.org Ethanol; Kernspinresonanzspektroskopie; Benutzer:Mister Pommeroy/Wasser; Usage on en.wikibooks.org