Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
SMILES COC(=O)c1ccc(cc1)I
InChI Key DYUWQWMXZHDZOR-UHFFFAOYSA-N
Molecular Formula C8H7IO2
Exact Mass 262.044 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DYUWQWMXZHDZOR-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DYUWQWMXZHDZOR-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • methyl 4-iodobenzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7716 surechembl
    69273 pubchem
    FORGOI CCDC
    DTXSID2060703 comptox
    Molport-002-041-166 molport
    The data in this table is sourced from UniChem at EBI.