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Under Construction
Last Update: 08/19/07
Spectra
To find spectra by compound name, CAS number, etc.:
 | Aldrich Library of FT-IR Spectra Reference
QC457.P87
 | This collection contains nearly 18,500
compounds. The compounds are arranged by functionality, and by
increasing complexity within a functional group. A special feature of
this collection is the design and layout of the grid for each spectrum.
Includes physical properties. Indexes include alphabetical, molecular
formula, and CAS numbers in volume III. |
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| SDBS:
Integrated Spectral Database of Organic Compounds
| SDBS is an integrated spectral database
system for organic compounds, which includes 6 different types of
spectra under a directory database of the compounds. The spectra are EI
mass, 1H decoupled 13C NMR, 1H NMR pattern (90 and/or 400 MHz), 1H NMR
parameter (300 MHz pattern generated), FT-IR, laser-Raman, and ESR. The
master files of the MS, 1H NMR-pattern, IR and Raman spectra are
constructed by direct transfer of the digital data from the
spectrometers. The compounds are mainly obtained from commercial sources
and two thirds of the organic compounds in SDBS have between 6 and 16
carbon atoms. Search Compound is possible by name, molecular formula,
atom numbers, molecular weight, CAS registry number and/or SDBS No. The
first priority of the search is SDBS-No and the second is CAS registry
number. |
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| UV Atlas of Organic Compounds Reference
QC495.U85
| This Atlas presents electronic
absorption spectra of selected organic compounds. The term "UV
Spectra", as usual, also includes spectra in the visible region.
This Atlas contains 1,160 spectra obtained by modern methods of
measurement. Each main section of the schedule is further divided into
appropriate sub-groups. Each section is accompanied by an introduction.
This introduction deals with general correlations within the section,
theoretical descriptions of the bands, solvent effects and the influence
of substituents. To facilitate searching for compounds, there is a
Formula Index and an Alphabetical List of Compounds in Volume V. |
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To find compound from spectra:
| Infrared band handbook Reference
QD457.S983
| These volumes will best serve those who
wish to locate infrared data quickly and without recourse to instruments
or related equipment. The Handbook can best be utilized searching a
specific wavelength region for samples of compounds having absorption
bands in that region, identifying an unknown where data are not readily
available, and locating the absorption bands of a compound using the
molecular formula. The Handbook presents data arranged by wavenumber, in
steps of 1 cm-1 , and does not limit itself to complete spectra. |
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| Spectroscopic
Tools
| This web database includes 4 different
types of spectra. The spectra are 1H-Wizard, IR-Wizard, MS-Wizard, and
13C-Database. For 1H-Wizard, enter chemical shifts [ppm]. The results
show the shift ranges [ppm], structure, type of hydrogen. For IR-Wizard,
enter wave number [cm-1]. The results show wave numbers ranges,
Intensity, and type of compound. For MS-Wizard, need fragment or loss
mass. The results show formula, structure, and name. For 13C-Database,
need compound name or chemical shift [ppm]. The results show all
compounds contains searching chemical in their name, structure, and all
chemical shifts values. |
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