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Finding spectra and properties online
SDBS - Spectral Database for Organic Compounds
A free online resource of spectra for over 33,500 substances. You can search by substance, peaks, molecular weight, etc.
NIST Chemistry Webbook
Free resource for chemical information. You have to click on your specific search option to get to a search page. Property and spectra data for over 7000 organic and small inorganic compounds.
Polymer Data Handbook
Here you can find physical properties and spectra information for important polymers.
Chemical database that brings chemical information together from all over the web.
Chemical shift ranges in carbon-13 NMR spectroscopy by
Call Number: REF.QD96.N8B741982
Based on the third revised and enlarged edition of W. Bremser's "Carbon-13 NMR Spectral Data: A "Living" Comfiche Collection of Reference Material", this book correlates the chemical shifts of 13C NMR signals with the structural elements for which they are characteristic. The data are compiled in tables listing the expectation ranges of 13C NMR resonance frequencies for carbon atoms with defined environments. The material was prepared by computer evaluation of 32,100 spectra that generated 240,000 shift values corresponding to 100,000 substructures. The novel, hierarchical, structure-bound presentation of data permits a rapid survey of the relations between chemical shifts and structures.
CRC Handbook of Chemistry and Physics by
The 90th ed. also includes mass spectral peaks of common organic solvents.
This book is considered THE book for properties, but it's not always easy to search. The chemical number they use can be found by looking in the molecular formula or CAS number index.
Encyclopedia of spectroscopy by
Call Number: REF.QC450.3.P471995
Offers a wealth of richly illustrated information. Covers spectroscopic principles, methods and applications, ranging from atomic to molecular spectroscopy.
Handbook of spectroscopy by
Call Number: REF.QD95.H26x2003
2 volumes + vol. 3 of the CRC Handbook of Spectroscopy (Ref.QD95.H27).
Provides a straightforward introduction to the field, showing what it can do and how it does it, together with a clear, integrated and objective account of the wealth of information that can be derived from spectra. The sequence of chapters covers the whole range of the electromagnetic spectrum, and the physical processes involved, from nuclear phenomena to molecular rotation processes.