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 | >400,000 | >5,810,000 | >1,204,000 |
| 1H | >291,000 | >2,883,000 | >1,085,000 | |
| 13C | >269,000 | >3,882,000 | >164,000 | |
| XNMR | 15N | >10,000 | >24,500 | >5,000 |
| 19F | >45,000 | >74,000 | >119,000 | |
| 31P | >34,000 | >41,000 | >55,000 | |
- Polymer Database available with Spectral NMR databases (for 1H and 13C data with 439 records)
- 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.
Third-Party Commercial Libraries
The following third-party databases can be seamlessly accessed through Spectrus Processor and ACD/Labs NMR Software
- Aldrich NMR Library for ACD/Labs (>35,000 compounds with multiple spectra)
- Chenomx Metabolite Library for ACD/Labs (>250 common metabolites found in biofluids)