Spectra
Online Spectra
Below are some freely available sites that provide a limited number of spectra online. See the database options and print spectra listed below if the substance you are looking for is not available online.
- NISTThe NIST database provides spectra and other information. Most compounds in the database are organic, a few small inorganic compounds are included as well. Spectra available may include: Gas Phase IR Spectra, Mass Spectra, UV/Vis Spectra, Vibrational and Electronic Spectra (tabular data only).
- Spectral Database for Organic Compounds (SDBS)Provides spectra for 32,000 organic compounds. Up to 6 different types of spectra may be available: electron impact Mass spectrum (EI-MS – 22,900 spectra); Fourier transform infrared spectrum (FT-IR – 14,000 spectra); 1 H nuclear magnetic resonance (NMR) spectrum (12,300); 13 C NMR spectrum (49,800 spectra); laser Raman spectrum (3,500 spectra); and electron spin resonance (ESR) spectrum (2,500 spectra).
- SpectrabaseSpectraBase is a free online spectral repository. Create free account to see spectra. Includes: organic compounds, inorganic compounds, polymers, and additional substances, for these techniques: Nuclear Magnetic Resonance (NMR), Infrared (IR), Raman, UV-Visible (UV-Vis), Mass Spectrometry (MS).
- NMRShiftDBThis project is part of the NFDI4Chem initiative. Search NMRShiftDB for organic structures and their nuclear magnetic resonance (nmr) spectra. The database also allows for spectrum prediction (13C, 1H and other nuclei). The software is open source and the data are open access. Users can also submit datasets to be peer reviewed by a board of reviewers.
Databases
The SciFinder and REAXYS databases can be used to locate references to spectra and/or spectral data in the chemical literature. SciFinder provides online access to some spectra, REAXYX provides literature references only.
- REAXYS This link opens in a new window
This link opens in a new window
REAXYS provides property, structure and reaction data for millions of chemical substances (organic, inorganic and organometallic) and chemical reactions. Up to hundreds of fields of chemical and physical property information are available. Reaxys combines the Beilstein Handbook of Organic Chemistry, the Gmelin Handbook of Inorganic and Organometallic Chemistry and the Elsevier Patent Chemistry Database. It is searchable by text keywords, numerical physical and chemical properties, and by chemical structures and substructures.
[Coverage: 1772 - present]
Coverage:
1772 – present Chemical substances
1976 – present Chemical patents
1980 – present Organic chemistry journal articles
1995 – present Inorganic chemistry journal articles
Help:
Reaxys Academy: Learn How to Search Reaxys
Additional REAXYS Training materials
- SciFindern (SciFinder-n) [Registration Required] This link opens in a new windowYou must (register for a SciFinder account) before you can use the database (login to VPN to access registration page from off-campus).
SciFinder is the most comprehensive bibliographic database for scholarly research in the field of chemistry. It contains over 52 million citations and indexes over 50,000 journals, covering all aspects of chemistry, including chemical aspects of: biology and life sciences, engineering and materials science, food science, geology, medicine, physics, and polymer science. SciFinder also allows searching of chemical substances, chemical reactions, and includes some property data and spectra. It is the online version of Chemical Abstracts.
[Coverage: 1907-present, with selected pre-1907 material]
[Cited Reference Searching: 1996 - present, allows you to identify who is citing an article]
NOTE: Commercial use of your University account is strictly prohibited. SciFinder can only be used by UC students, faculty and staff.
Print Spectra
The Library has a large collection of print spectra. Frequently used titles are listed below, additional titles are available as well (browse the Reference or General collection shelves in the call number range QC437.A29 through QD421.H68 or search the Library catalog).
ALDRICH SPECTRA
An easy to use collection of over 60,000 spectra.
Location: Shields Reference Area, mainly (2nd Floor) and general collection (3rd floor)
Indexes: are located in the back of each multi-volume set.
| Aldrich Library of 13 C and 1 H FT NMR spectra | QD96 F68 P67 1993, Reference | 3 volumes |
| Aldrich Library of FT-IR spectra | QD96 I5 P66 1985, Reference | 2 volumes |
| Aldrich Library of Infrared spectra | QD96 I5 P67 1981, Reference | 1 volume |
| Aldrich Library of NMR spectra | QD96 N8 P68 1983, Reference | 2 volumes |
| Aldrich Library of NMR spectra | QC762 P68, General Collection | 11 volumes |
SADTLER SPECTRA
A very large collection of over 200,000 spectra.
Location: Shields General Collection (3rd Floor)
Indexes: are separate volumes
| Standard IR Grating Spectra | QC457 S3 | 123 volumes |
| Ultra Violet Spectra | QC459 S25 | 170 volumes |
| Standard Proton NMR Spectra | QC762 S26 | 118 volumes |
| Carbon-13 NMR Spectra | QC762 S28 | 210 volumes |
| Evaluated Infrared Reference Spectra | Available Online |
Largest Sadtler Sets Are Listed Above. Many smaller sets are available.