Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H
SMILES Oc1cc2ccccc2c(c1)Br
InChI Key PQNQMYMGUXGWTG-UHFFFAOYSA-N
Molecular Formula C10H7BrO
Exact Mass 223.066 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PQNQMYMGUXGWTG-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/PQNQMYMGUXGWTG-UHFFFAOYSA-N/CHMO0000630
Version
Author Simon Oßwald
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-08-22
Related Molecule
  • 4-bromonaphthalen-2-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1055937 surechembl
    30049245 surechembl
    30643782 surechembl
    12115596 pubchem
    Molport-022-880-522 molport
    The data in this table is sourced from UniChem at EBI.