The comparison between the theoretical and experimental spectra reveals that the most prominent peaks are present in both. While there are many similarities, some differences in intensity and frequency for certain peaks are observed. The intensity of the C-C stretching mode is more than half as intense in the simulation as in the experiment. The carbonyl stretching mode is also much less intense than in the experiment; however, in the experiment, this mode overlaps with the water bending mode, which makes it difficult to compare directly. Furthermore, the positions of the peaks between 1000-1500 cm -1 , corresponding to the asymmetric methyl deformation modes, deviate by around 25 cm -1 . This may be due to the need to include anharmonicity, as scaling factors alone may not suffice. It is well known that normal modes exhibit varying degrees of anharmonicity across different frequency regions. For example, the work of Ringholm et al. demonstrates that anharmonic frequency corrections derived from analytic cubic and quartic force constants vary across different frequency regions. experimental Raman spectrum of a 0.5 % acetone in water solution (measured at 532 nm over 5 s averaged over 10 accumulations). The baseline of the experimental spectrum has been corrected with the asymmetrically reweighted penalized least-squares smoothing algorithm (arPLS). The theoretical intensities have been normalized so that the highest intensity of the experimental and theoretical peaks agree. The experimental spectrum has been provided by Martin Maier (Universität Heidelberg, Germany).