ACD/Labs' NMR data libraries give chemists access to meticulously examined experimental NMR data, complete with assigned structures and references. Databases are available for 1H, 13C, 15N, 19F, and 31P (each of these databases is used for the appropriate ACD/Labs Predictor). Each standalone database contains chemical shifts, original literature references, molecular formula, molecular weight, and the IUPAC name for each structure record, and does not require purchase of any additional software. See DB statistics.
| Database | # of Structures |
|---|---|
| ACD/HNMR DB | 210,000 |
| ACD/CNMR DB | >200,000 |
| ACD/FNMR DB | 16,780 |
| ACD/NNMR DB | 9,200 |
| ACD/PNMR DB | >27,000 |
Third-party Commercial Libraries
Four sets of spectral NMR databases are available (1H and 13C)—ACD/Polymer Database (439 records),
the Aldrich NMR Library for ACD/Labs (>35,000 records), the
Specs NMR Library (>39,000 records), and the Chenomx Metabolite Library
for ACD/Labs (300 common metabolites found in biofluids). These databases require ACD/Spectrus Processor for access and
browsing, and have many of the search features available for ACD/Labs NMR Databases.
