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IQ Academic Spectral Database

"A Truly Unique Spectral Database Designed for Learning."

  • 1,279 compounds and over 3,800 searchable spectra
  • IR, HNMR and CNMR spectra
  • Searchable by spectrum, structure, name, & properties
  • Now Only $29.99 for one year (U.S. Introductory Price)

Download the IQ Academic Spectral Database Datasheet Now


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The IQ Academic Spectral Database offers a convenient collection of infrared and NMR spectra of organic compounds relevant to college introductory courses on organic chemistry and the supplementary laboratory courses on experimental organic chemistry and qualitative organic analysis. In addition to serving as a teaching aid, this database can used by teachers and students in their research activities to establish the identity of compounds in the laboratory through empirical comparison via functional group analysis.

The database includes IR and NMR spectra for nearly 1,300 specially selected compounds that cover a broad range of chemical classes useful within the chemistry curriculum. Each compound contains cross-referenced spectral data for IR, 1HNMR, and 13CNMR and value-added information, such as technique, molecular formula, molecular weight, CAS Registry number, melting point, and boiling point.


Search by Spectrum, Peak, Structure, & More!

The IQ Academic Spectral Database works within Bio-Rad's KnowItAll Academic Edition, which is a free software package for teachers and students. With the KnowItAll Academic Edition, you can import your own data and search against the IQ Database. Searches are customizable and are driven by powerful algorithms. Search by fields such as name, structure, substructure, properties, and analytical data, such as spectra and peaks. The KnowItAll Academic Edition enables users to draw structures in 2D and 3D,perform IR and Raman functional group analysis, process and search IR, NMR, and Raman spectra, generate high-quality laboratory reports, and more!


High-Quality Data Students Can Afford

With the IQ Academic Spectral Database, students and teachers can affordably access high quality spectra used by major companies and research institutions throughout the world. Data for the IQ Academic Spectral Database was carefully chosen from the best spectral reference sources available:

  • Infrared data was selected from Sadtler's high-quality, comprehensive collection of reference spectra.
  • The NMR data was provided by the National Institute of Advanced Industrial Science and Technology and NMRDBTech, Inc., Japan. The 13C NMR spectra are 1H decoupled 13C NMR spectra and the 1H NMR spectra were measured at 90 and/or 400 MHz and contains generated 300 MHz spectra.

These data sources come together to form a database that is ideal for teaching.

The IQ Database has been processed according to the Sadtler Data Review Protocol to provide students and teachers with the highest standard available in spectral data today. These rigorous qualifying procedures start at data acquisition and continue throughout the database development process. Every effort is made to maintain our protocol's high standard of accuracy before placing a spectrum in a collection.


Link Directly to Sadtler's Renowned Spectral Handbooks

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Each spectral record in the IQ database contains a web link to supplemental information on that compound or class of compounds from Sadtler's world-renowned spectral handbooks. These essential handbooks for IR, 1H, and 13C NMR are useful for spectral interpretation as they highlight pertinent peak information to distinguish between chemical classes.

  • The Sadtler Infrared Spectral Handbook - The infrared handbook contains a table of correlations and absorption band locations to help students and teachers to identify a compound as a member of a specific chemical class. The listing of the correlations and absorption band locations appear in decreasing order of diagnostic value. The first listed absorption feature is considered to be related to the most important atomic linkage in the particular functional group or structure. Absorption bands assigned lower numbers are considered to be of secondary importance, but necessary for confirming the identity of the primary absorption band and defining it as part of a specific functional group or carbon framework.
  • The Sadtler Proton NMR Spectral Handbook - The proton NMR handbook records the chemical shifts exhibited by spectra as determined by the shielding or deshielding effect of the functional groups. Using a ppm delta scale (TMS = 0.0 ppm), these shifts were read from the original calibrated NMR charts and are considered accurate to within ± 0.05 ppm. The majority of spectra in the handbook were generated using one of six common NMR solvents and were selected in the following order of preference: carbon tetrachloride (for liquid samples), deuterochloroform, Polysol (50% CDCI3/50% DMSO-d6), dimethyl sulfoxide-d6, D2O, and trifluoroacetic acid. A limited number of samples were scanned as solutions in undeuterated acetone or undeuterated dimethyl sulfoxide. Because of the importance of solvent effects on proton chemical shifts, all tabulated data list the solvent that was employed to record the spectrum.
  • The Sadtler Carbon NMR Spectral Handbook - The carbon NMR handbook also presents the chemical shifts exhibited by the groups of spectra. These shifts were read from the original calibrated NMR charts and are considered accurate to within ± 0.05 ppm. They contain the chemical structure or substructure as well as the solvent.

The Handbook Series Covers the Following Chemical Classes:

I. HYDROCARBONS
A. SATURATED HYDROCARBONS
B. UNSATURATED HYDROCARBONS
C. AROMATIC HYDROCARBONS

II. HALOGENATED HYDROCARBONS
A. FLUORINATED HYDROCARBONS
B. CHLORINATED HYDROCARBONS
C. BROMINATED HYDROCARBONS
D. IODINATED HYDROCARBONS

III. NITROGEN CONTAINING COMPOUNDS
A. AMINES
    1. PRIMARY
    2. SECONDARY
    3. TERTIARY
B. PYRIDINES
C. QUINOLINES
D. MISCELLANEOUS NITROGEN
     HETEROAROMATICS
E. HYDRAZINES
F. AMINE SALTS
G. OXIMES (-CH=N-OH)
H. HYDRAZONES (-CH=N-NH2)
I. AZINES (-CH=N-N=CH-)
J. AMIDINES (-N=CH-N)
K. HYDROXAMIC ACIDS
L. AZO COMPOUNDS (-N=N-)
M. TRIAZENES (-N=N-NH-)
N. ISOCYANATES (-N=C=O)
O. CARBODIIMIDES (-N=C=N-)
P. ISOTHIOCYANATES (-N=C=S)
Q. NITRILES (-CNN)
R. CYANAMIDES ( N-CNN)
S. THIOCYANATES (-S-CNN)
T. NITROSO COMPOUNDS (-N=O)
U. N-NITROSO COMPOUNDS (=N-N=O)
V. NITRITES (-O-N=O)
W. NITRO COMPOUNDS (-NO2)
X. N-NITRO COMPOUNDS (=N-NO2)
Y. NITRATES (-O-NO2)

IV. SILICON CONTAINING COMPOUNDS
   (EXCEPT Si-O)

V. PHOSPHORUS CONTAINING COMPOUNDS
   (EXCEPT P-O AND P(=O)-O)

VI. SULFUR CONTAINING COMPOUNDS
A. SULFIDES (R-S-R)
B. DISULFIDES (R-S-S-R)
C. THIOLS
D. SULFOXIDES (R-S(=O)-R)
E. SULFONES (R-SO2-R)
F. SULFONYL HALIDES (R-SO2-X)
G. SULFONIC ACIDS (R-SO2-OH)
   1.SULFONIC ACID SALTS (R-SO2-O-M)
   2.SULFONIC ACID ESTERS (R-SO2-O-R)
   3.SULFURIC ACID ESTERS (R-O-S(=O)-O-R)
   4.SULFURIC ACID SALTS (R-OS(=O)-O-M)
H. THIOAMIDES (R-C(=S)-NH2)
I. THIOUREAS (R-NH-C(=S)-NH2)
J. SULFONAMIDES (R-SO2-NH2)
K. SULFAMIDES (R-NH-SO2-NH-R)

VII. OXYGEN CONTAINING COMPOUNDS
   (EXCEPT -C(=O)-)

A. ETHERS
B. ALCOHOLS (R-OH)
   1. PRIMARY
   2. SECONDARY
   3. TERTIARY
   4. DIOLS
   5. CARBOHYDRATES
   6. PHENOLS

VIII. COMPOUNDS CONTAINING CARBON
   TO OXYGEN DOUBLE BONDS

A. KETONES (R-C(=O)-R)
B. ALDEHYDES (R-C(=O)-H)
C. ACID HALIDES (R-C(=O)-X)
D. ANHYDRIDES (R-C(=O)-O-C(=O)-R)
E. AMIDES
F. IMIDES (R-C(=O)-NH-C(=O)-R)
G. HYDRAZIDES (R-C(=O)-NH-NH2)
H. UREAS (R-NH-C(=O)-NH2)
I. HYDANTOINS, URACILS,
    BARBITURATES
J. CARBOXYLIC ACIDS (R-C(=O)-OH)
K. ESTERS

If you are interested in site license opportunities for the IQ Academic Spectral Database, please contact us.


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