Use ACD/NMR predictors to quickly and accurately predict a complete set of NMR spectra, for 1H, 13C, 15N, 19F, and 31P nuclei from a chemical structure.
Import a desired structure from a data file, search for a structure, or draw the molecule(s) in the interface to calculate their full NMR spectra, chemical shifts, and coupling constants in seconds.
Visually compare the predicted and the experimental NMR spectra in the same screen for more efficient structure verification.
XNMR Predictors
15N, 19F, and 31P Predictors
NMR Predictor Suite
1D NMR Predictors (1H, 13C, 15N, 19F, and 31P)
2D NMR Predictors (1H–13C and 1H–15N)
In addition to providing the industry's most accurate NMR prediction, NMR predictors include a complete set of tools for processing and interpreting the analytical data in a vendor neutral environment. Read more
From experimental design to data interpretation, NMR predictors can significantly speed up your workflow.
Download this quick start guide on how to add an assigned spectrum to a C+H NMR database to train NMR predictions with NMR spectra of in-house compounds.
NMR prediction software is an excellent tool for teaching—both where there may be no access to NMR instruments, or simply to help in creation of spectral interpretation and analysis assignments and to explain advanced concepts in NMR spectroscopy
View this 40 minute webinar to see the most efficient analysis methods for interpreting 13C NMR spectra of fluorinated compounds. We will be showing how the ACD/Labs software tools can help you achieve this.
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View this 40 minute webinar to see what can be done with the current, industry-standard NMR prediction software from ACD/Labs and how it can increase your confidence in your day-to-day work.
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This technical note outlines how to draw structures that conform with the algorithmic requirements of ACD/Labs prediction software.
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This virtual software symposium featured presentations from NMR experts at AstraZeneca, Merck, and JEOL, where they discussed how ACD/Labs software is being implemented into their analytical workflows to help accelerate R&D.
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Curious how ACD/Labs' NMR Predictors compare to competitive brands? View this summary compiled by Freie Universität Berlin to determine the current industry standard NMR prediction software.
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View this webinar to learn more about how ACD/Labs tools for NMR spectrum prediction and spectral screening, combined with open NMR spectral/structural resources (PubChem, ChemSpider), can ensure effective and efficient dereplication analyses.
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Ready to learn more?
Contact us to request a demonstration of our software, or to answer any questions you may have.
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