Get structural data faster with our NMR database
Find the molecular structure insights you need with cutting-edge NMR prediction software and expert-curated experimental spectra seamlessly integrated into CAS SciFinder®.
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Interpret experimental spectra
Identify chemicals from your experimental data by leveraging the NMR spectra database and advanced search capabilities in CAS SciFinder. Select your NMR method from the Experimental Spectra dropdown menu and search your peak identifiers to return potential structures for your compound of interest.
Analyze validated NMR spectra
Easily search CAS REGISTRYⓇ for curated experimental NMR spectra by substance name, molecular formula, or chemical structure. View each spectrum in detail and gain further insight into experimental technicalities like instrument conditions, the solvent used, and links to the source material.
Examine predicted spectra for any compound
Leverage the NMR prediction tool to find proton and C-13 NMR spectra for thousands of compounds in CAS SciFinder. With new predicted NMR spectra added daily, CAS SciFinder offers you advanced search capabilities and the most expansive NMR database of its kind, guiding you to the insights you need.
Explore proton spectra in detail
Effortlessly uncover the hidden details of any spectrum in the CAS SciFinder NMR database. Obtain crucial information about molecular structures by using the zoom function. Closely examine crowded regions for a detailed assessment of proton symmetry, chemical shifts, integration, and multiplicity.
Spark innovation with best-in-class NMR data
Whether you're confirming molecular confirmation or studying a compound's physical properties, CAS SciFinder has
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