Prompt Introductory Text Precedes Each Spectra 1 Provide all information that is useful towards identifying an organic compound, but do not include any introductions, comments, summaries, or predictions of what the compound is. ChatGPT-4o Avg. 8.61 Figure : Prompt 1 Judge Score vs. Spectra ID Comparing Table and Table , on average ChatGPT-4o produced 72 words per generation greater than 3.5 Sonnet across the 13 spectra, albeit at a higher standard deviation. 3.5 Sonnet generations were faster and had a lower standard deviation of 2.17 versus 2.76 for ChatGPT-4o, in part due to shorter outputs. ChatGPT-4o had higher scoring averages of 8.61 versus 7.98 by 3.5 Sonnet, which included a lower standard deviation of scores at 0.84 versus 1.18. The 13 best spectra responses between the two models used in the study scored an average of 9.01/10. The key differences between Prompt 2 versus Prompt 3 based inputs were that Prompt 3 averaged 75 greater words per generation (494 versus 419) shown in Table and had a lower standard deviation. 3.5 Sonnet was the only model to return a molecule that supported the provided C 15 H 22 O 2 . This was obtained for one Prompt 2 generation and two Prompt 3 generations. Each of these three generations across the two prompts yielded an identical compound 4-(4-ethylphenyl)pentan-2-yl acetate. This was also readily apparent in Sonnet 3.5 having the most similar average molecular weights across the prompts, as seen in Figure .