Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H7IO3/c1-11-9-7-5-3-2-4-6(7)8(10)12-9/h2-5H,1H3
SMILES CO[I]1OC(=O)c2c1cccc2
InChI Key LUERUKOXOOMVNM-UHFFFAOYSA-N
Molecular Formula C8H7IO3
Exact Mass 278.044 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LUERUKOXOOMVNM-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LUERUKOXOOMVNM-UHFFFAOYSA-N/CHMO0000630
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 1-methoxy-1lambda3,2-benziodoxol-3-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12211388 surechembl
    13741469 pubchem
    MXBIOX CCDC
    Molport-046-680-226 molport
    The data in this table is sourced from UniChem at EBI.