Sadtler spectra

Permission for the pubhcation herein of Sadtler Spectra has been granted by Bio-Rad Laboratories,... 

Bio-Rad Laboratories, Inc. Informatics Division, Sadder Software Databases. (2012) All Rights Reserved. Permission for the publication herein of Sadtler Spectra has been granted by Bio-Rad Laboratories, Inc., Informatics Division.)... 

Bio-Rad Laboratories, Informatics Division, Philadelphia, PA (www.bio-rad.com), publishes the electronic Sadtler spectra collections of high-resolution proton and C NMR spectra, and specialty NMR databases for metabolites, monomers, and polymers. Bio-Rad offers a powerful informatics tool called KnowItAll , which permits spectral processing, search, analysis, and prediction, among other tools. As of 2012, the proton and carbon NMR databases contained over 560,000 spectra, and the other elements NMR databases such as B, P, N, and Si had over 90,000 spectra. 

Currently the largest publisher of reference spectrograms is the Sadtler Research Laboratories of Philadelphia. In addition to the spectrograms, Sadtler markets a spec-finder which aids in locating spectra in this collection. The spectra are cross-referenced to the ATSM-IBM cards, so that laboratories having the IBM card deck can use this technique to sort the Sadtler spectra. These spectrograms are classified as either standard or commercial. 

I30d Catalogue of Ultraviolet Spectra, Sadtler Spectrum No. 6749. Sadtler,... 

Further information concerning the NMR spectrum of methimazole can be obtained from Sadtler NMR catalog (8) and also from CRC Atlas of spectral data (7) and Aldrich NMR catalog (9). 

Sadtler Index. 1960a. W spectrum for m-cresol (622). Philadelphia Samuel Sadtler and Sons, Inc. 

This spectrum is available in Sadtler Standard Spectra, Sadtler Research Laboratories, Inc., Philadelphia, Pennsylvania, 1972, spectra numbers 5424 (i.r.) and 3126 CH-n.m.r.). 

Nuclear Magnetic Resonance (NMR) Spectroscopy is by far the most widely used analytical technique in the modern organic chemistry lab. Numerous monographs have been written on this subject. It would be impossible to cover all of the significant points here. The reader who is interested in knowing what the proton ( H) or carbon (13C) spectrum of a particular compound is directed to the Aldrich Library of NMR Spectra or the Sadtler Library. 

The infrared absorption spectrum for Form I of indomethacin in KBr is given by Hayden et al. and Sadtler(24,25). Monkhouse and Lach, and Borka, in addition to IR spectrum for Form I, give IR spectra for the other crystalline modifications of indomethacin that they observed(19,20). 

Upper spectrum reproduced with permission from Bio-Rad Laboratories, Sadtler Division... 

These spectra were converted from. ras to. abs files with no change in the Y-axis scale and then used to search Sadtler libraries of commercial material using Mattson First software with a correlation coefficient search algorithm which takes into account baseline drift and differences in scaling. As can be seen the sample spectrum and the library spectrum are usually quite similar. The library spectra shown here were the best hits in each of the searches with a search correlation coefficient of >0.9 with 1.0 representing a perfect match. 

Figure 7.8. The 20-MHz 13C spectrum of CnH NO. Sadtler Research Laboratories, Division of Bio-Rad Laboratories, Inc. (1983).

Dr. B. A. Woods is acknowledged for valuable advice in preparing the manuscript. The NMR spectra of gibberellic acid were provided by Dr. I. Pelczer and the infrared spectrum comes from BIO-RAD Laboratories, Sadtler Division... 

The spectrum obtained is identical to that of phenelzine sulfate which appears as Sadtler infrared spectrum 24825. The broad band at about 2500 cm. may be attributed to the hydrazine salt. The bands at 758 cm. and 705 cm. may be attributed to the monosubstituted benzene moiety. 

Figure 4.33 Cyclohexane, CgHi2, a cyclic alkane. The structure shown on the spectrum is the typical shorthand notation—each point of the hexagon is a CH2 group and the sides of the hexagon are the single covalent bonds between the six CH2 groups. (Copyright Bio-Rad Laboratories, Informatics Division, Sadtler Software and Databases, 1999. All rights reserved.)...

Your instructor will provide you with an infrared spectrum for each unknown sample and will either post known spectra for comparison or will urge you to use appropriate sources in the chemical literature. Particularly useful literature sources for matching spectra are Nakamoto, Infrared and Raman Spectra of Inorganic and Coordination Compounds, Wiley, 1978, especially pages 109, 127, 129, 134, 135, and 142, and also Sadtler Standard Infrared Spectra that provide actual spectra for many compounds. You can even determine that a particular salt is at least partially hydrated (contains water in its crystal lattice) by noting the presence of water absorption bands in the infrared spectrum of the salt. 

Of course, if one can find an expert who can interpret a spectrum or give a lead to its solution, an immediate advantage is gained. Then, there are the unmechanized procedures such as the Sadtler Spec Finder, the Peek-a-boo (Termatrex)t, or DMS... 

The spectrum of phosgenite shown in Sadtler (90) has an extra peak at 670 cm 1817 ... 

The spectrum matches that shown in Sadtler (93), but has better resolution. 2990 872 ... 

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