NMR Solvent Impurities

Solvent & impurity NMR shifts

Only for iPhone

Free · Designed for iPhone. Not verified for macOS.

iPhone

What is that unknown peak? Enter the solvent, chemical shift and splitting, and search 86 common impurities and 20 deuterated solvents instantly. Is there a peak in your NMR spectrum you cannot assign? NMR Solvent Impurities is a fully offline reference for quickly identifying the residual signals of deuterated solvents and the trace impurities commonly met in the lab. PEAK SEARCH • Single peak: choose the solvent, the chemical shift (ppm, ± tolerance) and the splitting (singlet, doublet, triplet, quartet, multiplet…). Exact matches come first, compatible splittings next; incompatible ones are left out. • Multiple peaks: enter several peaks from your spectrum with their splittings, or paste a list such as "2.05 s; 4.12 q; 1.26 t". Impurities are ranked by the number of matching signals, closeness and splitting agreement. • The solvent's own residual peaks and the water peak are searched too. SOLVENTS • 20 deuterated solvents: residual ¹H and ¹³C peaks, J(H,D) and J(C,D) values, water/HOD peak, density, melting and boiling point, dielectric constant and storage conditions. • Temperature-dependent HDO shift calculator for D₂O. IMPURITIES • More than 3000 ¹H and ¹³C values for 86 common impurities in 12 deuterated solvents. • Search by English or Turkish name, abbreviation (EtOAc, DCM, THF…) or formula. • The source publication of every value is shown. CHEM21 GREEN CHEMISTRY GUIDE • Safety, health and environment scores of 75 solvents and their ranking from "recommended" to "highly hazardous". • An explanation of how the scores are obtained. RECORDS • Save search results with a sample name, analysis date and note, and mark the impurities you identified in the spectrum. • Come back to your records any time, edit them, or copy them as text into your report. • Records are stored only on your device. MORE • English and Turkish interface, six colour themes, light and dark mode. • No internet connection needed; no account, no ads, no data collection. • Free and open source (GPL-3.0). SOURCES The data were compiled from the peer-reviewed literature and a manufacturer's solvent chart: • H. E. Gottlieb, V. Kotlyar, A. Nudelman, J. Org. Chem. 1997, 62, 7512. • G. R. Fulmer et al., Organometallics 2010, 29, 2176. • N. R. Babij et al., Org. Process Res. Dev. 2016, 20, 661. • D. Prat et al., Green Chem. 2016, 18, 288 (CHEM21). • Cambridge Isotope Laboratories, NMR Solvent Data Chart. Chemical shifts can vary with concentration, temperature and pH; consult the original sources and your own measurements for a definitive assignment. This app is not affiliated with the publishers or with Cambridge Isotope Laboratories. Developer: Dr. İlker ÜN

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    Information

    Seller
    ilker UN
    Size
    21 MB
    Category
    Education
    Compatibility
    Requires iOS 15.0 or later.
    • iPhone
      Requires iOS 15.0 or later.
    • iPod touch
      Requires iOS 15.0 or later.
    • Mac
      Requires macOS 12.0 or later and a Mac with Apple M1 chip or later.
    Languages
    English and Turkish
    Age Rating
    4+
    Copyright
    © 2026 Dr. İlker ÜN
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