iORA vs Spectromaster

iORA is a free, easy to use, highly interactive smartphone application that provides 3D visualization of chemical reactions based on quantum-mechanical simulations.

Spectromaster reads a spectrum from a photograph of a plot, or from an instrument's own data file, and helps you work out what your sample might be. Every measurement and every interpretation happens on the device in your hand. WHAT IT READS • ¹H and ¹³C NMR, from a photograph of a printed or on-screen plot • COSY, HSQC and HMBC correlation maps • JCAMP-DX (.jdx, .dx) and Bruker folders, at full instrument resolution • UV-Vis absorption and emission, IR, Raman and mass spectra • Boiling point, melting point, density, logP and optical rotation A vial collects every measurement of one solution — its ¹H spectrum, its IR bands, its melting point — and the app ranks reference compounds against all of them together. A compound consistent with three measurements is a far better hypothesis than one consistent with any single one. A ranked candidate list is a shortlist to check against your own data, not an identification. The reference library built into the app is small — 586 compounds. Type a SMILES string or draw a structure and get an estimated spectrum, drawn over the one you measured so you can compare them by eye. Estimates are labelled as estimates and never enter matching or scoring. No account, no login, no server, no analytics. All the reference data is compiled into the app. The only thing that can cross the network is your own records: switch on iCloud sync and your vials and their photos move between your own devices through your private iCloud database. It is off until you ask for it, we cannot read it, and the app is complete without it. FREE, AND PRO The free version keeps three solutions at a time. Pro removes the limit, and searches a shift table you supply — your group's own measurements — beside the shipped library. Reading, analysis, interpretation, refusals, export, backup and iCloud sync are identical in both versions and always will be. For laboratory interpretation by a trained operator. Not for diagnostic, forensic, safety, regulatory or GxP use. SUBSCRIPTION Spectromaster Pro — $2.99 per month, renewing automatically until cancelled. Your Apple Account is charged at confirmation and again each month unless you cancel at least 24 hours before the period ends. Manage or cancel in Settings › your name › Subscriptions. Terms of Use: https://www.apple.com/legal/internet-services/itunes/dev/stdeula/ Privacy Policy: https://qemica-lab.com/legal/spectromaster-privacy/