My background is mostly CS and I'm not too familiar with chemistry, how can I start learning Spectroscopy? Please let me know if you know of any courses, textbooks or anything else that can help me learn.
Signal processing, which is a domain within the electrical engineering discipline, is a good place to start your reading and learning.
ML is a poor fit in my opinion for spectroscopic analysis because the underlying physics is absolute: every element or molecule has one and only one signature within a given band, and it is typically at a very high SNR.
Now, it is possible that your sensor(s) can have variability so that is the only case where I see a ML vs. model-based approach (e.g. matched filter) being applicable.
Good luck on your journey.