Available Databases
NMR Data Libraries
A collection of comprehensive spectral databases that can be used with corresponding ACD/NMR Predictors and includes:
| Database | Number of Structures | Number of Chemical Shifts | Number of Coupling Constants | |
| 1H+13C | 1H+13C | >383,000 | >5,390,000 | >1,099,000 |
| 1H | >275,000 | >2,644,000 | >999,000 | |
| 13C | >254,000 | >3,587,000 | >143,000 | |
| XNMR | 15N | >10,000 | >24,000 | >5,000 |
| 19F | >31,000 | >56,000 | >76,000 | |
| 31P | >32,000 | >39,000 | >49,000 | |
ACD/Labs distributes a PubChem structure library with ACD/Structure Elucidator Suite. The library includes ACD/Labs predicted NMR chemical shifts, structures, molecular formula, and PubChem ID numbers.
Request A QuoteThird-Party Commercial Libraries
The following third-party databases can be seamlessly accessed through ACD/Spectrus Processor and ACD/Labs NMR Software
- AntiBase: The natural compound identifier with 48,887 natural product compounds
- Polymer Database available with Spectral NMR databases (for 1H and 13C data with 439 records)
- Aldrich NMR Library for ACD/Labs (>35,000 compounds with multiple spectra)
- Chenomx Metabolite Library for ACD/Labs (>300 common metabolites found in biofluids)