{
  "abstract": "IRexp is a collection of experimental infrared band lists (cm⁻¹ peak positions) mined from open chemistry literature, with author-reported ¹H/¹³C NMR strings and resolved structures where available. The research corpus holds 121,233 records from the PMC Open Access Subset and the Chemotion repository, including 57,646 structure-linked entries and 39,118 IR + ¹H + ¹³C + structure quadruples. The public dataset of record contains 88,519 CC-BY/CC0 records released under CC-BY-4.0, with ShareAlike and non-commercial records distributed separately under their source licences. Every record carries a source identifier and a per-record licence stamp. Technical validation covers automated transcription, recall-proxy, and consistency audits. IRexp targets multimodal training, retrieval, and structure-elucidation tools that need structured, attributable experimental peak lists.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemistry and Chemical Biology",
    "McMaster University",
    "School of Computational Science and Engineering",
    "Brockhouse Institute for Materials Research"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Ilkham Yabbarov",
      "orcid": "0009-0004-9393-9822"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Rudra Sondhi",
      "orcid": "0009-0003-3034-7347"
    },
    {
      "affs": [
        0,
        1,
        2,
        3
      ],
      "name": "Rodrigo A. Vargas-Hernández",
      "orcid": "0000-0002-5559-6521"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/6vet9n5kw14aq.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15009750/v1",
  "fulltext_url": null,
  "id": "6vet9n5kw14aq",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009750/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1602|Spectroscopy and Chemometric Analyses"
    ]
  ],
  "openalex": "W7215039864",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15009750/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-01",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/6vet9n5kw14aq.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:21Z",
      "native_id": "10.26434/chemrxiv.15009750",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009750/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1602|Spectroscopy and Chemometric Analyses",
      "subfield": "analytical"
    }
  ],
  "title": "IRexp: A database of experimental infrared band lists from open literature",
  "title_text": "IRexp: A database of experimental infrared band lists from open literature",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:21Z",
  "url": "https://research.draconitic.com/paper/6vet9n5kw14aq",
  "venue": "ChemRxiv",
  "versions": []
}