The essential features of the laboratory are described below:

  • Back. Clicking the back button exits the laboratory and returns the user to the portal.
  • Flask. The round bottom flask on the stockroom counter is used to prepare reactions by selecting staring materials and solvents. It is then dragged to the stir plate to select the appropriate reagent and reaction conditions.
  • Live Data. When running experiments the Live Data tab is used to display the contents of the flasks out in the laboratory. Mousing over the compound names on the Live Data tab or the various bottles in the stockroom or on the lab bench will display the structure of the indicated compound on the chalkboard.
  • Stockroom. The stockroom tab is used to prepare reactions by selecting starting materials and solvents. A set of starting materials is chosen by selecting a reaction, which then expands the reaction menu with the available starting materials associated with that reaction. Note that reagents are not limited to the selected reaction, but any of the 15 reagents on the lab bench can be used. Once starting materials and the appropriate solvent have been added to the flask, the flask is dragged to the stir plate where the appropriate synthetic conditions are selected and the reaction started.
  • Spectra. The Spectra tab reveals a list of over 700 compounds in alphabetical order. At the top of the compound list are buttons for 1H NMR, 13C NMR, FTIR, or Mass Spec. Clicking on any of the listed compounds displays the selected spectra for that compound.
  • Lab Book. The lab book is used to record notes and save spectra.
  • Presets. The Presets tab is used to select preset experiments for the laboratory or custom presets saved by the user.
  • Ice Bucket. The ice bucket is used to add an ice bath to the experimental reaction setup. The ice bath is applied by clicking and dragging a dish of ice to the flask on the stir plate. The ice bath can be returned by clicking and dragging the ice bath on the stir plate to the disposal bucket.
  • Equipment Guide. Clicking on the Equipment label on the chalkboard will reveal a list of the equipment available in the lab. Hovering over the equipment name with your mouse will reveal the equipment in the laboratory and provide a description of what the equipment is used for and how to use it in the simulation.
  • NMR. The nuclear magnetic resonance (NMR) spectra of a solution contained in a flask or separatory funnel can be generated by clicking on the NMR spectrometer and dragging the NMR tube to the solution of interest. The control screen or the buttons next to the screen on the NMR instrument can be used to switch between 1H NMR and 13C NMR. 1H NMR spectra were taken on a 300 MHz instrument, and 13C NMR spectra were simulated as if taken on a 125 MHz instrument. An NMR spectrum is only allowed after a reaction mixture has been worked up. A library of 1H and 13C NMR spectra can be accessed using the Spectra tab.
  • Mass Spectrometry. The Mass Spectrum (MS) of a solution contained in a flask or separatory funnel can be generated by clicking on the Mass Spectrometer and dragging the MS tube to the solution of interest. The Mass Spec data are produced from Electron Ionization (EI) for compounds whose boiling points are below 250°C or Electrospray Ionization (ESI) for salts and high boiling point compounds. A Mass Spectrum is only allowed after a reaction mixture has been worked up. A library of Mass Spectra can be accessed using the Spectra tab.
  • FTIR. The Fourier Transform Infrared (FTIR) spectra of a solution contained in a flask or separatory funnel can be generated by clicking on the FTIR spectrometer and dragging the salt plate to the solution of interest. An FTIR spectrum is only allowed after a reaction mixture has been worked up. A library of FTIR spectra can be accessed using the Spectra button on the chalkboard.
  • Melting Point. The melting point of a solid can be measured after a solid has been recrystallized in the crystallization dish by clicking and dragging a melting point tube from the melting point apparatus to the crystallization dish. The melting point is displayed on the LED of the melting point apparatus and an enlarged display is provided in the Live Data tab.
  • Disposal Bucket. Flasks and other pieces of equipment that are no longer needed can be discarded by clicking and dragging them to the disposal bucket. Clicking on the disposal bucket clears the entire lab bench. Clicking the Clear Lab button does the same thing. 
  • TLC Jar. A thin layer chromatography (TLC) measurement can be made on a solution contained in any flask or in either layer in the separatory funnel by clicking the TLC jar and dragging a small TLC plate to the solution of interest. A TLC can be measured at any time in the laboratory.
  • Crystallization Dish.Located on the right corner of the lab bench is the crystallization dish, which is used to purify solids dissolved in solvents or to recrystallize a solid product after a synthesis to produce pure crystals.
  • Workup Reagents. The three bottles on the right side of the lab bench are the three aqueous reagents that can be added to the separatory funnel to quench a reaction and separate it into organic and aqueous layers. These layers can then be removed from the funnel and purified as necessary. (When the organic layer is removed, the diethyl ether solvent is removed automatically using an assumed rotovap step.) NMR, FTIR, and Mass spectra can be generated for either layer in the funnel (with the solvents included in the spectra) or at any point in the purification process. The workup reagents are only active when the separatory funnel is on the lab bench.
  • Equipment Rack. The equipment rack contains the condenser for reactions, separatory funnel for workup, and the distillation apparatus for purifying products. These items are used by clicking and dragging to the flask on the stir plate.
  • Reagent Bottles. In a synthesis experiment, the reagent bottles contain 15 different reagents that can be added to the reaction flask before the reaction is started. Only one reagent can be added for a reaction, but any of the reagents can be added for any starting material combination.
  • Heating Mantle. The heat mantle is used to add heat to the experimental reaction setup. The heating mantle is applied by clicking and dragging the mantle to the flask on the stir plate, and the heating mantle can be removed by clicking and dragging the mantle on the stir plate to the disposal bucket.
  • N2 Gas. For synthesis experiments, nitrogen gas can be attached to a reaction setup by clicking and dragging the needle to the red septum cap on top of the apparatus. Nitrogen gas is needed when heating a reaction mixture so pressure does not build up in the glassware.
  • Stir Plate and Cork Ring. The stir plate is used to build an experimental apparatus for starting reactions or performing distillations. The flask containing starting materials and solvents is moved from the stockroom to the stir plate. Reagents are added to and an appropriate experimental setup is built on the flask on the stir plate. A reaction or distillation is started by clicking the Stir button on the stir plate. After a reaction mixture has been worked up, solutions can be moved from the funnel to the stir plate or to the cork ring. Flasks that are on the stir plate or cork ring can also be moved to the separatory funnel for further separations as necessary.
  • Clock. The clock represents the virtual laboratory time and is set to the actual time of day when the laboratory is first entered. Workup, NMR and FTIR spectra, Mass Spec, TLC, and other laboratory operations advance the clock to represent the time typically required for such operations. Time can also be advanced by clicking the buttons below the hour and minute digits to accelerate reactions and distillations. Note that the buttons only advance the time; once clicked, the student cannot reverse the time on the clock.
  • Bell.  The bell located on the stockroom counter is used to open the Beyond Labz support page.