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| Help Finding Spectral Information |
Recommended Resources This page is still under construction, please contact a librarian for additional assistance. KnowItAll Where would I find this? ONLINE: Chemistry Library Workstation Why would I use this? *KnowItAll is the most complete collection of software tools and data for multiple spectral techniques and cheminformatics. One interface allows you to search NMR and IR, and perform stucture drawing. *Ability to draw, store, and search complex mixtures of stereoisomers, including enantiomers and diastereomers 3D structure viewing capability *Direct access to a reliable reference spectrum NIST Chemistry Webbook Where would I find this? ONLINE: http://webbook.nist.gov/chemistry/#Search Why would I use this? * Provides direct links to IR spectra for over 8700 compounds * Provides direct links to Mass spectra for over 12,000 compounds * Provides direct links to UV/Vis spectra for over 400 compounds * Provides direct links to Electronic and vibrational spectra for over 4000 compounds * Easy to use search interface (can search by chemical name, CAS registry number, structure, molecular formula, etc.) * Accessible from any workstation with access to the Internet Integrated Spectral Data Base System for Organic Compounds Where would I find this? ONLINE: http://www.aist.go.jp/RIODB/SDBS/menu-e.html Why would I use this? * Provides direct access to the following types of spectral information:
* Accessible from any workstation with access to the Internet SIS Mass Spec Tools Where would I find this? ONLINE: http://www.sisweb.com/mstools.htm Why would I use this? * Provides Mass Spectrum Generator *Provides Isotope Distribution Calculator and Mass Spec Plotter * Provides Exact Mass Calculator, Single Isotope Version * Accessible from any workstation with access to the Internet NMRShiftDB Where would I find this? ONLINE: http://www.nmrshiftdb.org/nmrshiftdb/ Why would I use this?
NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical
structures and their nuclear magnetic resonance data. Paper ToolsAldrich Library of FT-IR SpectraWhere would I find this? PRINT: Chemistry Library Reference Spectra Collection QD96 I5 P66x 1985 Why would I use this? *Direct access to a reliable reference spectrum *Easy to use Note: You can find the references to the FT-IR spectrum of specific substances by looking up the substance in the Aldrich Chemical Catalog. A copy of the Aldrich Chemical Catalog can be found in the Chemistry Library and in the Reference Section of the Kline Science Library. Aldrich Library of 13C and 1H FT-NMR Spectra Where would I find this? PRINT: Chemistry Library Reference Spectra Collection QC462.85 A44x 1993 Why would I use this? *Direct access to a reliable reference spectrum *Easy to use Note: You can find the references to the FT-IR spectrum of specific substances by looking up the substance in the Aldrich Chemical Catalog. A copy of the Aldrich Chemical Catalog can be found in the Chemistry Library and in the Reference Section of the Kline Science Library. Aldrich Library of NMR Spectra Where would I find this? PRINT: Chemistry Library Reference Spectra Collection QD96 N8 P68x 1983 Why would I use this? * Direct access to a reliable reference spectrum * Easy to use Note: You can find the references to the FT-IR spectrum of specific substances by looking up the substance in the Aldrich Chemical Catalog. A copy of the Aldrich Chemical Catalog can be found in the Chemistry Library and in the Reference Section of the Kline Science Library. Aldrich Library of Infrared Spectra Where would I find this? PRINT: Chemistry Library Reference Spectra Collection QD96 I5 P67 1981 Why would I use this? *Direct access to a reliable reference spectrum *Easy to use Note: You can find the references to the FT-IR spectrum of specific substances by looking up the substance in the Aldrich Chemical Catalog. A copy of the Aldrich Chemical Catalog can be found in the Chemistry Library and in the Reference Section of the Kline Science Library. Sadtler Library of Spectra Where would I find this? PRINT: Chemistry Library Reference Spectra Collection Why would I use this? *Direct access to a reliable reference spectrum *Covers IR, NMR, and UV-Vis *Access to reference spectra for thousands of substances Data Tools containing spectral informationCombined Chemical DictionaryWhere would I find this? PRINT: The electronic Combined Chemical Dictionary contains information compiled from the Dictionary of Organic Compounds (KSL Ref), the Dictionary of Inorganic Compounds (KSL Ref), the Dictionary of Organometallic Compounds (Chem Ref), the Dictionary of Natural Products (KSL Ref), Dictionary of Pharmacological Agents, and the Dictionary of Analytical Reagents. ONLINE: http://www.chemnetbase.com/scripts/ccdweb.exe, database description page http://resources.library.yale.edu/online/dbsbysubjecthfxml_info.asp?searchfor=science&lookfor=YUL03349. Why would I use this? *Provides references to NMR and IR spectra in the Aldrich libraries of spectra (see above) and in the journal literature. *Easy to use * Accessible on the Web (Yale community only) Beilstein/Gmelin Where would I find this? ONLINE: The Beilstein/Gmelin databases are available on all web-based workstations, but requires a simple downloaded application the first time. For more information on these databases, please see the DiscoveryGate description page, http://resources.library.yale.edu/online/dbsbysubjecthfxml_info.asp?searchfor=science&lookfor=YUL03301. Why would I use this? * Provides references to a variety of spectral information published in the journal literature from 1779 to the present. Spectral information includes: NMR, IR, Fluorescence, Mass Spec, Raman, UV * Covers a large number of substances SciFinder Scholar Where would I find this? ONLINE: SciFinder Scholar can be found on all of the workstations in the Chemistry Library, on Workstations 1 and 2 in the Kline Science Library, and on selected workstations in the Engineering and Applied Science Library. For more information on SciFinder Scholar, please see the SciFinder Scholar description page, SciFinder Scholar Help Why would I use this? * Equipped for structure, chemical name, registry number, and molecular formula searching *User can limit search to "spectral properties" * Provides references to the literature where users can find the spectral properties of the substance of interest. Note: More Information on SciFinder Scholar More Help For additional assistance finding journal articles in Chemistry, please contact either the Acting Chemistry Librarian, Joe Murphy or a Reference Librarian at the Kline Science Library. |
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