This guide covers four types of spectra that are frequently used in chemistry to identify or characterize elements and chemical compounds: Nuclear Magnetic Resonance (NMR), Infrared (IR), Ultraviolet-Visible (uv-vis), and Mass Spectroscopy (MS).
Print Resources / Online Resources
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Aldrich Library of 1³C and 1H FT NMR Spectra |
(NMR) |
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Graphical data of the NMR spectra for over 12,000 organic compounds. Use Volume 3 cumulative index of molecular formulas, names or CAS number (recommended) to find spectra graphs. | |
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Aldrich Library of Infrared Spectra |
(IR) |
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Graphical data of the IR spectra for around 12,000 organic compounds. Use alphabetic or molecular formula index in the back of the volume to find spectra graphs. | |
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Atlas of Mass Spectral Data |
(MS) |
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Tabular, non-graphical, low-resolution MS data of over 6,500 chemical compounds. Use the chemical formula index to identify the graph of the correct compound. | |
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Atlas of Protein Spectra in the Ultraviolet and Visible Regions |
(uv-vis) |
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Uv-vis spectral graphs of over 500 proteins. Organized alphabetically by protein name but general or source index can also be used to locate graphs of spectra. | |
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Infrared Spectra of Inorganic Compounds (3800-45cm)1- |
(IR) |
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Graphs of IR spectra for almost 900 inorganic compounds. Use alphabical name or numerical index in the front of the volume to locate the desired spectral graph. | |
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Merck FT-IR Atlas |
(IR) |
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Graphical data of Fourier transform (FT) infrared spectra for just over 3,000 different chemical compounds. The volume is written in both German in English and is easy to use. Recommend using the CAS Registry Number index to locate compounds although molecular formula and name indices are also available. | |
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Sadtler Standard Spectra Collection |
(IR) (NMR) |
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Sets of IR and NMR spectral graphs for an enormous number of mostly organic compounds. Recommend using the cumulative molecular formula or name indices to locate the reference number of the corresponding graphs. IR spectra located in 123 volumes and NMR spectra is 118 volumes. | |
Online
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(IR) (MS) (uv-vis) | |
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Contains spectral graphs of IR spectra for over 8700 compounds, mass spectra for over 12,600 compounds, and uv-vis spectra for around 400 compounds. Mostly organic substances although some inorganic compounds can be found. Searching for spectral graphs can be done by formula, name or CAS Registry Number (recommended). Sponsored by the U.S. National Institute of Standards and Technology. | |
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(IR) (NMR) | |
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Provides IR and NMR spectral graphs for compounds found in the Sigma-Aldrich catalog. Graphs can be found in the "Related Documents" section on the left-hand side of the product detail page. Search for spectra by name, formula, or CAS registry number (recommended). | |
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(IR) (NMR) (MS) | |
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Database of IR, NMR, and MS spectra in graphical form for thousands of chemical compounds. Searchable by name, molecular formula, molecular weight, or CAS registry number. This database is sponsored by the National Institute of Materials and Chemical Research, Japan. | |