Pure NMR vs Crys

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.

Crys-CAST brings crystal and molecular structure viewing, geometry analysis, and presentation tools to iPhone and iPad. OPEN AND EXPLORE Open CIF, XYZ, PDB, MOL, SDF, MOL2, and RES files from Files or other apps. Explore asymmetric units, unit cells, and supercells with ball-and-stick, Spacefill, coordination polyhedra, and thermal ellipsoids when suitable displacement data is available. Rotate, zoom, and view structures along crystallographic directions. MEASURE AND ANALYZE Inspect bond lengths, bond angles, and geometric hydrogen-bond candidates, grouped by type with clear symmetry details. Combine selected length, angle, and hydrogen-bond labels directly on the structure. Distinguish coordinate-calculated values from matching CIF-reported geometry, and export compact bond-length and bond-angle tables as TXT or Excel-compatible CSV. Explore simulated powder X-ray diffraction patterns, BFDH morphology, and geometric pore analysis. Display pore space alone or together with the crystal structure. BUILD YOUR COLLECTION Organize structures in My Database. Add files from History or import structure files and ZIP, RAR, or 7z archives into a chosen collection. Name entries, save viewing states, and export collections for reuse. CREATE PRESENTATION MATERIALS Save structure images and record GIF or MP4 animations with resolution and frame-rate presets and custom duration. Use automatic rotation or adjust the view while recording. Animation exports contain the structure viewer without interface controls or sound. MAKE THE VIEW YOUR OWN Use a consistent interface on iPhone and iPad, choose light or dark appearance, and customize backgrounds, unit-cell lines, axes, and scale bars. SCIENTIFIC SCOPE Calculated geometry, hydrogen-bond candidates, pore results, and other analyses depend on the input data and selected settings. They support visualization and interpretation but do not replace structure refinement or experimental validation. Missing hydrogen positions are not inferred. Actual recording frame rate depends on device performance and structure complexity.