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Context. The gas and ice-grain chemistry of the pre-stellar core L1544 hasbeen the subject of several observations and modelling studies conducted in thepast years. The chemical composition of the ice mantles reflects theenvironmental physical changes along the temporal evolution. The investigationoutcome hints at a layered structure of interstellar ices with mainly H$_2$O inthe inner layers and an increasing amount of CO near the surface. Themorphology of interstellar ice analogues can be investigated experimentally.Aims. This research presents a new approach of a three-dimensional fit whereobservational results are first fitted with a gas-grain chemical model. Then,based on the numerical results the laboratory IR spectra are recorded forinterstellar ice analogues in a layered and in a mixed morphology. Theseresults can then be compared with future James Webb Space Telescope (JWST)observations. Special attention is paid to the inclusion of the IR inactivespecies N$_2$ and O$_2$. Methods. Ice analogue spectra containing the mostabundant predicted molecules were recorded at a temperature of 10 K using aFourier transform infrared spectrometer. In the case of layered ice wedeposited a H$_2$O-CO-N$_2$-O$_2$ mixture on top of a H2O-CH$_3$OH-N$_2$ ice,while in the case of mixed ice we examined a H$_2$O-CH$_3$OH-N$_2$-COcomposition. Results. Following the changing composition and structure of theice, we find differences in the absorption bands for most of the examinedvibrational modes. The extent of observed changes in the IR band profiles willallow us to analyse the structure of ice mantles in L1544 from futureobservations by the JWST. Conclusions. The comparison of our spectroscopicmeasurements with upcoming JWST observations is crucial in order to putstringent constraints on the chemical and physical structure of dust icymantles, and to explain surface chemistry.

Laboratory spectroscopy of theoretical ices: Predictions for JWST and test for astrochemical models