Pure NMR
NMR Impurity Reference Guide
Free
Identify mystery NMR peaks instantly. Comprehensive ¹H and ¹³C impurity reference data, right in your pocket.
Pure NMIdentify NMR impurities instantly with Pure NMR.
Pure NMR is the essential reference tool for chemists working with NMR spectroscopy. Quickly identify unknown peaks in your ¹H and ¹³C spectra by searching a comprehensive database of common laboratory impurities and residual solvents.
FAST & ACCURATE SEARCHES
Enter a chemical shift value and instantly find all matching impurities within your specified tolerance range. Search across multiple deuterated solvents including CDCl₃, DMSO-d₆, CD₃CN, D₂O, and more.
COMPREHENSIVE DATABASE
Access chemical shift data for over 60 common impurities including:
Residual solvents (water, acetone, ethyl acetate, etc.)
Common reagents (triethylamine, acetic acid, TMS, etc.)
Laboratory contaminants (silicone grease, pump oil, etc.)
Stabilizers and additives (BHT, BHA, etc.)
All data is based on peer-reviewed literature (Fulmer et al., Organometallics 2010; Gottlieb et al., J. Org. Chem. 1997).
KEY FEATURES
- Search by chemical shift (1-H or 13-C)
- Adjustable tolerance range (0.0 to +/-1.0 ppm)
- Support for 14 deuterated solvents
- View complete assignment information (multiplicity, coupling constants)
- Add your own custom impurities to the database
- Browse all impurities by solvent
- Dark mode support
- Customizable interface colors
- No internet connection required - fully offline
PERFECT FOR
Organic chemists characterizing compounds
Graduate students learning NMR spectroscopy
Research scientists in academia and industry
Anyone who needs quick impurity identification
SCIENTIFICALLY VALIDATED
All chemical shift values are sourced from authoritative scientific publications, ensuring accuracy and reliability for your research.
EASY TO USE
Select your nucleus (1-H or 13-C)
Choose your deuterated solvent
Enter the unknown chemical shift
Get instant results with full spectroscopic details
Stop flipping through reference books or searching online databases. Pure NMR puts all the essential impurity data right at your fingertips.
PRIVACY FOCUSED
Pure NMR works completely offline. No data collection, no tracking, no internet required. Your searches stay on your device.You can also custom save the Default conditions so that every time the App starts up, you are ready to go without having to select them again.
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The developer, Marcal Casas Cartagena, indicated that the app’s privacy practices may include handling of data as described below. For more information, see the developer’s privacy policy .
Data Not Collected
The developer does not collect any data from this app.
Accessibility
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Information
- Seller
- Marcal Casas Cartagena
- Size
- 5.2 MB
- Category
- Education
- Compatibility
Requires iOS 26.1 or later.
- iPhone
Requires iOS 26.1 or later. - iPad
Requires iPadOS 26.1 or later.
- iPhone
- Languages
- English
- Age Rating
4+
- 4+
- Copyright
- © 2026 - Marcal Casas-Cartagena