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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. 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 ...

7. Two-dimensional nuclear magnetic resonance spectroscopy

   en.wikipedia.org/wiki/Two-dimensional_nuclear...

   The spectrum that appears along both the horizontal and vertical axes is a regular one dimensional 1 H NMR spectrum. The bulk of the peaks appear along the diagonal, while cross-peaks appear symmetrically above and below the diagonal. COSY-90 is the most common COSY experiment. In COSY-90, the p1 pulse tilts the nuclear spin by 90°.