Dataset · Hugging Face

ilkhamfy/IRexp

Name: IRexp
Creator: ilkhamfy
License: cc-by-4.0
Keywords: language:en, license:cc-by-4.0, license:cc-by-sa-4.0, license:cc-by-nc-4.0, size_categories:100K<n<1M, format:json, modality:text, library:datasets, library:pandas, library:polars, library:mlcroissant, region:us, chemistry, spectroscopy, infrared

IRexp — experimental IR band lists IRexp is an openly redistributable collection of experimental infrared band lists mined from open-access chemistry literature, often with co-reported ¹H/¹³C shift lists and resolved structures (SMILES / InChIKey). Important: IRexp contains band lists (peak positions in cm⁻¹), not digitised absorbance traces. This is the form reported in publication text and is not directly comparable to SDBS or NIST full spectra. This Hugging Face repository… See the full description on the dataset page: https://huggingface.co/datasets/ilkhamfy/IRexp.

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Author / organization	ilkhamfy
License (as declared)	cc-by-4.0
Downloads	297 (as reported by Hugging Face)
Likes	0
Created	25 September 2026
Last updated at source	28 September 2026

chemistryspectroscopyinfrarednmrcheminformaticsopen-data

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