Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H9IO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
SMILES Ic1ccccc1Oc1ccccc1
InChI Key AOZLGVLVAJRLPS-UHFFFAOYSA-N
Molecular Formula C12H9IO
Exact Mass 296.104 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AOZLGVLVAJRLPS-UHFFFAOYSA-N/CHMO0000630.1
License URL
Source https://www.chemotion-repository.net/inchikey/AOZLGVLVAJRLPS-UHFFFAOYSA-N/CHMO0000630.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-16
Related Molecule
  • 1-iodo-2-phenoxybenzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12889355 PubChem
    SCHEMBL1869607 SureChEMBL
    DTXSID10512386 EPA CompTox Dashboard
    CB7836138 ChemicalBook
    J892.635B Nikkaji
    ZINC000021999358 ZINC
    The data in this table is sourced from UniChem at EBI.