Item added 17/03/08
A new hetero-atom NMR dataset has been added to SpecInfo. It contains some
46,000 new spectra (F, N, O, P and B NMR).
Item added 27/02/08
Three new NMR datasets have been added to SpecInfo, increasing the number of
CNMR spectra available to over 359,000, and the number of HNMR spectra to 130,000.
A total of nearly 700,000 spectra of all types are now available.
Item added 26/10/05
A self-paced tutorial guide is now available from
Item added 15/07/05
A new proton NMR dataset, containing over 53,000 assigned spectra
has been added. This more than doubles the number of fully assigned
HNMR spectra available, and brings the total number of spectra of
all types to over 420,000.
Item added 07/06/05
Two new hetero-atom NMR datasets have been added to SpecInfo.
PNMR contains 14,378 assigned 31-P NMR spectra and structures.
FNMR contains 23,600 assigned 19-F NMR spectra and structures.
This data has all been abstracted from the scientific literature,
and the spectrum notes contain the reference.
Both datasets increase the number of spectra available by an
order of magnitude, and should significantly improve the quality
of database based P and F NMR predictions.
The datasets are automatically accessed via SpecSurf, users do
not need to make any changes in order to access the data.
Item added 27/10/03
Two new proton NMR datasets have been added to SpecInfo.
The datasets cover general organic compounds and contain a total
of 38,340 fully assigned spectra. This brings the total number
of proton NMR spectra available to over 61,000. However, the
total number of fully assigned spectra has now been increased
from just over 3,000 to 41,500. This massive increase should
significantly improve the quality of database based proton NMR