Molecular Formula Generator 1.4 FREE Generates full list of molecular formulae based on molecular mass (m/z value) and elemental composition. - Specify m/z value, mass accuracy, possible element composition and double bonds equivalent; - Generate complete... Continue to app Rating:
Orange NMR 2.4 FREE App to predict 13C and 1H NMR spectra: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm correspondingly). The number of heavy atoms in... Continue to app Rating:
13C NMR 2.5 PAID App to predict 13C NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm (RMSD=3.4 ppm). - Instantly re-calculate spectrum while changing structure; - Predicted spectra stored... Continue to app Rating:
Molecule 1.4 FREE Simple modern chemical structure editor. Allow to draw and share chemical structure. MF, MW, Monoisotopic Mass and Elemental Composition calculated interactively during drawing. Nov 5, 2017 Version 1.4 This app has been up Continue to app Rating:
1H NMR 2.5 PAID App to predict 1H NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 0.21 ppm (RMSD=0.31 ppm) obtained on a large independent dataset. - Instantly re-calculate the spectrum while... Continue to app Rating:
CompTox Mobile 1.0 FREE Find chemical structure instantly by exact mass (m/z), ¹³C NMR chemical shifts, structure name or CAS Registry Number in a database of about 720,000 EPA CompTox structures. The Chemistry Dashboard is part of a suite of... Continue to app Rating:
m/z EPA CompTox 1.0 FREE Find chemical structure by exact mass (m/z) in EPA CompTox structures. Instant search in a database of more than 700,000 structures. Sep 13, 2016 Version 1.0 This app has been updated by Apple to display the Apple Watch ap Continue to app Rating:
Trivial Names 1.1 FREE Find organic compound by its trivial name. Find organic compound by its name. Contains about 188K compounds from different sources. Most compounds have links to internet databases: PubChem, EPA CompTox, HMDB and ChEBI. Jan Continue to app Rating:
m/z 2.0 FREE Find chemical structure by exact mass (m/z). Instant search in a database of known structures with exact mass less than 340 Da (about 35 million) created from PubChem compounds database. Oct 25, 2016 Version 2.0 This app h Continue to app Rating:
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