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ACD/Labs NMR Databases

Structure Records Include Chemical Shifts, Original Literature References, Molecular Formula and Weight, and IUPAC Name

ACD/Labs NMR Databases: Access and Search Highly Curated Experimental NMR Databases from ACD/Labs

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.

Database # of Structures
1H 266,474
13C 246,200
15N 10,253
19F 29,177
31P 31,640

Third-party Commercial Libraries

Spectral NMR databases are available (1H and 13C)—ACD/Polymer Database (439 records), the Aldrich NMR Library for ACD/Labs (>35,000 compounds with multiple spectra), 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.