All NMR vs LabNote Chem

App to predict ¹³C and ¹H NMR spectra: draw a structure to see its spectra. The accuracy (Mean Average Error) of the algorithm is about 1.5 ppm for ¹³C and 0.21 ppm for ¹H (RMSE = 2.8 and 0.31 ppm correspondingly). - Instantly re-calculate spectra while changing structure; - Predicted spectra stored in iCloud and synchronised among all iOS devices and Mac version; - Email PDF report; - Zoom in spectrum; - Zoom in structure (important for iPhone users); - Option to display chemical shift values on structure; - Simple clean interface. The prediction algorithm is a combination of neural network and spheric codes based algorithms.

LabNote Chem is an electronic lab notebook app designed to help manage chemical experiment records, reagent information, inventory, equipment, molecular structures, and calculation notes in one place. You can organize experiments using notebooks and pages, record observations and notes, attach photos and files, and export PDF reports. The reagent master allows you to register information such as reagent name, CAS number, molecular weight, purity, density, SMILES, and notes. Inventory records can include manufacturer, lot number, storage location, opened/unopened status, remaining quantity, and unit. For chemistry-focused workflows, LabNote Chem supports SMILES input, a molecular editor, reactant and product records, and calculation assistance for molecular weight, purity, density, mass, volume, mol, and mmol. LabNote Chem is designed as a local-first record management app. Records can be organized by separate users on the same device, and data can be imported or exported as needed for migration between environments or backup purposes. Key Features: Electronic lab notebooks and experiment pages Reagent master management Inventory and storage location management Equipment information management Molecular editor and SMILES support Reactant and product records Calculation assistance for chemical experiments Photo and file attachments PDF report export CSV templates, ZIP import/export, and iCloud backup Japanese and English interface LabNote Chem Pro is a one-time, non-consumable in-app purchase. With Pro, you can use ZIP import/export and iCloud backup features for reagent masters, inventory, equipment, and notebooks. This app is a productivity tool for organizing chemistry-related records. It is not intended to replace your institution’s safety management procedures, legal compliance checks, inventory audits, or official research data validation systems.