SpecInfo on the Internet - NMR

Book Details

  • Published: 10 January 2012
  • ISBN: 9780471221692
  • Author: Chemical Concepts in collaboration with BASF AG, Ludwigshafen, Germany

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SpecInfo Collections
SpecInfo Databases Updated

The STM Data team is proud to announce significant additions to three of its SpecInfo NMR Collections.

The available NMR databases on SpecInfo now comprise:

Wiley 1H NMR Organic Compounds Volume 1
Wiley 1H NMR Organic Compounds Volume 2 (Edition 2006) - New! *
Wiley 13C NMR Organics Volume 1 (Edition 2006) - New! **
Wiley 13C NMR Organics Volume 2 (Edition 2006) - New! **
Wiley 13C NMR Flavors and Fragrances
Wiley 13C NMR Natural Products
Wiley 19F NMR
Wiley 31P NMR
Wiley 29Si NMR

*1HNMR Organic Compounds Volume 2 (Edition 2006)

The new HNMR Organic Compounds Volume 2 Edition 2006 supercedes the HNMR Organic Compounds Volumes 2 and 3. The digital high-resolution 1HNMR spectrum library was enlarged by 111% and now consists of 91,454 spectra measured by experienced spectroscopists engaged in combinatorial syntheses of physiological active organic compounds. The spectra have been measured at field strengths of 300 MHz and higher.

**13CNMR Organic Compounds (Editions 2006)

The two new 2006 editions of the CNMR Organic Compounds Volumes 1 and 2 collections replace the former three CNMR Organics volumes. These new collections increased by a total of 79% and now contain 185,537 and 147,976 13CNMR spectra and chemical structures respectively. All data has been carefully quality controlled by recognized NMR experts.

Chemical shifts are assigned to the corresponding 13C and 1H atoms, forming the basis of SpecInfo's spectrum prediction tools widely used to verify the result of a chemical synthesis in research laboratories. The prediction quality improves significantly due to the largely increased number of data sets.

Request a free trial or quotation: dbinquiry@wiley.com
The SpecInfo Solution

SpecInfo on Wiley Online Library provides desktop access to some of the largest collections in mass spectrometry (MS), Nuclear Magnetic Resonance (NMR), and Infrared and near Infrared spectroscopy.

Some of the features include:

Easy to use - no software to install, no passwords to manage
SpecSurf Java client - works automatically on all Java-compliant browsers
I.P. Access: works for users across your entire network - no user names or passwords to manage

Comprehensive - one of the largest collections of spectroscopies in the world

SpecInfo database collection - take all 26 databases in NMR, IR & MS
Over 10 Gigabytes of spectral data
Or choose the collection right for you: NMR, IR, or MS.

About the Database
The Web Client SpecSurf

The SpecInfo Database Server can be accessed through the Web Client SpecSurf. All database operations and display steps are performed through one singe Web page to make the usage as easy as possible. An illustrated guide gives a brief overview of the main functions of SpecSurf.

The SpecSurf User Interface:
The SpecInfo Database Server

The SpecInfo Internet Database Server runs in the Wiley InterScience environment at John Wiley&Sons. NMR, IR and MS database collections are available on the server together with the corresponding chemical structures.

Additional information contained in the database records include:

Chemical name
Molecular formula
Molecular weight
Literature reference
Measurement condition

In the case of NMR knowledge bases have been derived from assigned chemical shifts and build the basis of a prediction module.
The following data collections are available:

NMR Spectroscopy
Mass Spectrometry
Infrared Spectroscopy
All Collections

About the Author

SpecInfo has been developed by Chemical Concepts in collaboration with BASF AG, Ludwigshafen, Germany

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