USING THE SADTLER STANDARD SPECTRA -
A BASIC GUIDE
Sadtler Standard Spectra Indexes
Introduction | NMR |
Grating IR | Prism IR | Ultraviolet
| Indexes | ONLINE CATALOG
The Sadtler Standard Spectra series (in green looseleaf binders) form one of the largest cumulations of published chemical spectra. Compounds represented in these volumes are almost exclusively organic; finding inorganic and polymer spectra can be more difficult. There are five major sets shelved in the Spectra section of the Chemistry Resources.
| Type | Holdings in the Library | Index Code | No. of Spectra to date |
|---|---|---|---|
| Infrared Prism | vols. 1 - | Prism | 85,000 |
| Infrared Grating | vols. 17 - | Grating | 85,000 |
| Ultraviolet | vols. 1-102 | UV | 28,585 |
| Proton NMR | vols. 1 - | NMR | 58,000 |
| 13C NMR | vols. 1 - | C-13 | 35,000 |
Cumulative indexes are shelved together at the beginning of the Sadtler Standard Spectra sets. The Library owns most but not all of the spectra indexed.
The basic indexes are divided into four sections: Alphabetical, Molecular Formula, Chemical Class, and Molecular Weight. Each of these consists of two parts: part one covers spectra up to 1980 (hardcover volumes) and the looseleaf supplement covers 1981 to present. (Note: the Library lacks the pre-1980 section of the molecular weight index.) Each index section covers all five sets of spectra. To avoid nomenclature problems, it's best to start with the Molecular Formula indexes. After locating your compound in the index, note the reference number from the appropriate column on the right, and then consult the indicated Sadtler set and volume. The spectra themselves are in no particular order -- access is possible only with the indexes.
Molecular Formula Index
Compounds are listed in this index in Hill formula order: number of carbon atoms first, then hydrogen, then other non-metal atoms in alphabetical order (Br, Cl, F, I, N, O, P, S, Si). Other elements are listed in the M column. Compounds without carbon are found at the very end of the index. Compounds with the same formula are listed alphabetically by name under that formula.
Alphabetical Index
Compounds are listed alphabetically by name of the parent compound, followed by derivatives. Nomenclature closely follows older Chemical Abstracts (pre - 9th CI) standards, but is not exactly equivalent. Sadtler assigns the parent name on the basis of a predefined priority of functionality, with substituents and/or derivatives specified alphabetically after the parent name. Ignore numbers, Greek letters, and isomerism designators when searching the alphabetical sequence. In addition to systematized names, many cross-refernces to frequently used trivial names can be found.
Molecular Weight Index
Compounds are listed by increasing molecular weight, then alphabetically by name. If you know only the molecular weight of an unknown, use this to find a matching spectrum.
Chemical Class Index
Various functional groups are assigned a numeric code, found in the chart in the front of the index. Compounds are listed in the index by the three lowest codes, found in the Functionality columns. Complex compounds are given special designations (e.g., Y5, Steroids) and are found at the end of the index. See the introduction for a more thorough explanation of this index.
The "Spec Index" indexes allow you to locate the IR spectra based on absorption peaks. Consult their introductions for further information. The 13C set has its own peak indexes.
NMR -- Nuclear Magnetic Resonance
Introduction | NMR |
Grating IR | Prism IR | Ultraviolet
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Examples
1. You need to find the proton NMR spectrum of Benzophenone, 5-chloro-2-(methylamino). If you know that the molecular formula is C14H12CINO, look up that formula in the Molecular Formula index and match the name. (Note: This compound is in the Supplementary Index.) The NMR column shows that the spectrum is no. 38148 in the NMR set. Other spectra are also available (IR Prism, IR Grating, UV, and C-13).
| NAME> | N | H | Br | Cl | F | I | N | O | P | S | I |
| PRISM | GRATING | UV | NMR | C-13 | |||||||
| P-ANISIDINE, N-/O-CHLOROBENZYL- IDENE/-, | 14 | 12 | 1 | 1 | 1 | 78951 | 78951 | 44852 | 51888 | ||
| BENZAMIDE, N-BENZYL-N-CHLORO-, | 14 | 12 | 1 | 1 | 1 | 71444 | 71444 | 44426 | |||
| BENZAMIDE, N-BENZYL-O-CHLORO-, | 14 | 12 | 1 | 1 | 1 | 60508 | 60508 | 39549 | 33154 | 13248 | |
| BENZAMIDE, N-BENZYL-P-CHLORO-, | 14 | 12 | 1 | 1 | 1 | 60175 | 60175 | 33378 | |||
| BENZOPHENONE, 5-CHLORO-2-/METHYL- AMINO/- | 14 | 12 | 1 | 1 | 1 | 65164 | 65164 | 36003 | 38148 | 17594 | |
| M-BENZOTOLUIDIDE, 2-CHLORO-, | 14 | 12 | 1 | 1 | 1 | 77543 | 77543 | 43698 | 50509 | ||
| M-BENZOTOLUIDIDE, 4-CHLORO-, | 14 | 12 | 1 | 1 | 1 | 77809 | 77809 | 44667 | 50764 | ||
| O-BENZOTOLUIDIDE, 2-CHLORO-, | 14 | 12 | 1 | 1 | 1 | 77556 | 77556 | 44631 | 50522 | ||
| O-BENZOTOLUIDIDE, 4-CHLORO-, | 14 | 12 | 1 | 1 | 1 | 77703 | 77703 | 43786 | 50664 | ||
| O-BENZOTOLUIDIDE, 6*-CHLORO-, | 14 | 12 | 1 | 1 | 1 | 77982 | 77982 | 50933 | |||
If you do not know the formula, look up its name id the Alphabetical Index. If your nomenclature is correct, you'll find the same information quickly, but this index does not show the formula or the molecular weight.
NAME PRISM GRATING UV NMR C-13 BENZOPHENONE, 5-CHLORO-2-/ETHYL- 65166 65166 36005 38150 17596 AMINO/-, BENZOPHENONE, 4-CHLORO-4*-HYDROXY-, 80323 80323 53254 32654 BENZOPHENONE, 5-CHLORO-2-HYDROXY-, 80067 80067 45342 53003 M-CHLOROCARBANILATE /ESTER/ BENZOPHENONE, 5-CHLORO-2-/METHYL- 65164 65164 36003 38148 17594 AMINO/-, BENZOPHENONE, 3,4-DIAMINO-, 80636 80636 53541 BENZOPHENONE, 3,4-DICHLORO- 59924 59924 33291 32714 4*-METHOXY-, BENZOPHENONE, 3,4-DICHLORO- 59926 59926 33293 32716 4*-METHOXY-3*-NITRO-, BENZOPHENONE, 2*,5-DICHLORO- 65165 65165 36004 38149 17595 2-/METHYLAMINO/-,Prism Infrared
Introduction | NMR | Grating IR | Prism IR | Ultraviolet | Indexes | ONLINE CATALOG
Standard Prism Spec-Finder®
The Grating Spec-Finder® gratings list codings in wavenumbers.
The Prism Spec-Finder® prism lists codings in wavelength.
The Prism Spec-Finder is an index which contains data obtained by coding the band locations of all spectra in the Sadtler Standard Infrared Prism Collection. Each spectrum is coded first by the location of the major band, and then by the major band within each micron region. The data is systematically arranged by major band location. Spectral data for all compounds which have the same major band location are grouped together in this index. An unknown spectrum can be rapidly identified by coding its absorption bands in the same way and matching it against the Spec-Finder® data.
How to Use the Prism Spec-Finder®.
1. Code the strongest absorption band for each micron region to the nearest 0.1 micron. Only those strong bands in each micron interval below 60%T are coded.
2. Select the strongest band in the entire spectrum and enter on the coding strip.
3. Locate the Spec-Finder® page listing all spectra having a corresponding strongest band.
4. Match the code of the unknown numerically with the listed
reference spectra in the region of five (5
)
to fourteen (14)
microns. One should look for a spectrum as coded in values of plus or minus
0.1 microns. For example, if a band is coded as 7.5 and cannot be found
under that listing one should look under 7.4 and 7.6 microns.
5. After the number of the Standard Spectrum has been found, compare the unknown with the Standard Reference Spectrum to verify the identification or to assist in showing variations or impurities. The identification is only complete when a point to point comparison of all bands has been made with a known standard reference spectrum. If an exact match in not found, the comparison will provide valuable information about functional groups present enabling the chemist to establish the compounds' general structure and characteristics.
All dashes (5 - 14) and blank spaces (2 - 4) in any column in the Spec-Finder® indicate no band in that micron region with more then 60% transmittance.
Grating Infrared
Introduction | NMR |
Grating IR | Prism IR | Ultraviolet
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How to Use the Grating Spec-Finder®
1. Code the spectrum of the unknown by selecting in sequence the one strongest band occurring in each 200 cm-1 region from 3600 cm-1 to 2000 cm-1 and in each 100 cm-1 region from 2000 cm-1 to 400 cm-1. Signify the absence of a band in any interval by entering a dash in the relevant space on the coding slip. Remember to code the bands in the 3600 cm-1 to 2000 cm-1 region. The position of the band should be determined to the closest 10 wavelength numbers.
2. Enter each band selected in the appropriate space on the Sadtler Coding Slip. When no band with the specified absorbency or transmittance occurs within any region, indicate this by entering a dash in the appropriate space on the coding slip.
3. Select the strongest band from the bands of the unknown which have been coded; this is the band which has the greatest intensity by maximum absorption. Enter the strongest band value in the appropriate space on the coding slip.
4. Match the values of the coded bands of the unknown to the values of the reference spectra in the Spec-Finder®.
5. Having found the spectra which match the coding of the
unknown, check the codes under the Chemical Class Code which indicate the
chemical conformation of the reference spectrum. This may enable some of
the references to the eliminated if any chemical functionalities of the
unknown are suspected. Then the remaining reference spectra numbers should
be checked in the Numerical Index which gives the compound name or checked
against the actual reference spectrum.
Note:Abbreviation of the Wavenumber Region:
3600 cm-1 to 2200 cm-1 Wavenumber Region
A two digit number in any of these columns represents the last two
digits of a band location in the region is one hundred less than the column
heading,
2000 cm-1 to 400 cm-1 Wavenumber Region
- Indicates a band at 3000 cm-1.
- Indicates an entry at 2930 cm-1 and 2870 cm-1.
- Indicates bands at 3540 cm-1, 3350 cm-1, 2980
cm-1 and 2870 cm-1.
Introduction | NMR | Grating IR | Prism IR | Ultraviolet | Indexes | ONLINE CATALOG
Not all compounds have all types of spectra. Infrared spectra are the most common, and ultraviolet has the fewest. If the column you need is blank, be sure to check the index supplement to see if a spectrum was published after 1981.
The spectrum page itself includes the structural formula , with solvent, sample purity, source and equipment information. The NMR 13C and UV spectra also give assigned peaks.
- If you can't find a spectrum for your compound, or
- If you're looking for spectra of inorganics, polymers, or other special substances, or
- If you're looking for different types of spectra (such as: Mass, Raman, NIT, etc.).
If you can't find a spectrum for your compound ask the librarian
for assistance.
Indexes
Introduction | NMR |
Grating IR | Prism IR | Ultraviolet
| Indexes | ONLINE CATALOG
Chemical Abstracts. 1907 - . Available in its entirety online-only through SciFinder.
ONLINE CATALOG
Introduction | NMR |
Grating IR | Prism IR | Ultraviolet
| Indexes | ONLINE CATALOG
Use ONLINE CATALOG to locate books and journals held by the LSU Libraries on this topic. To search by subject, use established Library of Congress Subject Headings from the red volumes near the terminals. Use the subject search feild. Relevant general headings include:
The keyword search is also useful as an alternative search
method, to find items lacking in-depth subject headings:
