Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10H,1-2,7H2
SMILES Brc1ccc(cc1)C1CCCO1
InChI Key OUJWSBTVHIGHIS-UHFFFAOYSA-N
Molecular Formula C10H11BrO
Exact Mass 227.098 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OUJWSBTVHIGHIS-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/OUJWSBTVHIGHIS-UHFFFAOYSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-(4-bromophenyl)oxolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14653181 PubChem
    SCHEMBL9772595 SureChEMBL
    J864.625B Nikkaji
    The data in this table is sourced from UniChem at EBI.