2/18/2010 1 S t d Spectra and Spectroscopy: Library Resources Michael White Engineering and Science Library January 2010 Topics Where can I find spectra? Library guide to spectral resources Library guide to spectral resources Research databases o SciFinder Scholar o Beilstein/Gmelin Online libraries and databases Handbooks and other print sources
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2010 CHEM 222 Spectra - Queen's University · Aldrich library of FT-IR spectra o Ref. QD96 .I5 P66 1985 Aldrich library of NMR spectra o Ref. QD96 .N8 P68 1983 Web site () o Th d
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S t dSpectra and Spectroscopy:
Library Resources
Michael WhiteEngineering and Science Libraryg g y
January 2010
Topics
Where can I find spectra? Library guide to spectral resources Library guide to spectral resources Research databases
o SciFinder Scholaro Beilstein/Gmelin
Online libraries and databases Handbooks and other print sources
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http://library.queensu.ca/spectra
SciFinder
World’s premier chemical databaseo 33 million organic and inorganic compoundsg g po 14 million reactionso 1+ billion predicted and experimental properties
Type of spectra:o Experimental: o Calculated:
Available:W b ( i i )o Web (registration)
o Engineering & Science Library workstations
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Name = Caffeine
CAS Registry No. = 58-08-2
Searching Formulas
Scifinder searches molecular formulas in Hill Order. o Organic = C# H# other atoms in alphabetical ordero Organic C#, H#, other atoms in alphabetical ordero Inorganic = Atoms in alphabetical order
Caffeine
(CH ) C HN O C8 H10 N4 O2(CH3)3C5HN4O2 C8 H10 N4 O2
Linear orderHill order
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Get ReferencesGet References
Suppliers
Regulations
Get Reactions
Full Record
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Online? 1951 to present
In Library? 1929 2008
QD1 .C3
1929-2008
Beilstein/Gmelin Crossfire
Database of chemical “facts”o Beilstein = 30 million organic substanceso Beilstein 30 million organic substanceso Gmelin = 2 million inorganic/organometallic substanceso 800+ million experimental values reported in the chemical
literature
Links to chemical literature Access
o CrossFire Commander 7.1 cliento CrossFire Commander 7.1 cliento Engineering & Science Libraryo Download for use on campus
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Name
CAS #
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“Click on Start Search
Search found 8 substances
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Scroll Down to See Available Properties
Link to reference
Click on “Full Text” to retrieve PDF or
check for a print copy in the library.
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Spectral Data Libraries
Government Research Centreso NIST Chemistry Web Book (US)o NIST Chemistry Web Book (US)o SDBS: Spectral Database for Organic Compounds (Japan)
Universitieso NMRShiftDB
Manufacturerso Sigma-Aldrich Catalogue
Sigma Aldrich
Leading manufacturer of bio-chemical and chemical products.chemical and chemical products.
Aldrich library of FT-IR spectrao Ref. QD96 .I5 P66 1985
Aldrich library of NMR spectrao Ref. QD96 .N8 P68 1983
Web site (www.sigma-aldrich.com)Th d f NMR d IR o Thousands of NMR and IR spectra
o Search by name, CAS #, keyword, formula, substructure, etc.o Access to physical properties, MSDS docs, and structureso Free
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Sigma-Aldrich Web Site
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NIST Chemistry WebBook
U.S. National Institute of Standards and Technology o Leading producer of standard reference data o Leading producer of standard reference data