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 | >392,000 | >5,609,000 | >1,152,000 |
| 1H | >283,000 | >2,768,000 | >1,044,000 | |
| 13C | >262,000 | >3,741,000 | >152,000 | |
| XNMR | 15N | >10,362 | >24,657 | >5,000 |
| 19F | >36,000 | >62,000 | >89,000 | |
| 31P | >33,000 | >40,000 | >51,000 | |
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)
- Chenomx Metabolite Library for ACD/Labs (>300 common metabolites found in biofluids)