Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H7BrO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,9H2
SMILES OCC#CC#Cc1ccc(cc1)Br
InChI Key DHGKMTQZGHDRAZ-UHFFFAOYSA-N
Molecular Formula C11H7BrO
Exact Mass 235.077 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DHGKMTQZGHDRAZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DHGKMTQZGHDRAZ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-(4-bromophenyl)penta-2,4-diyn-1-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11096551 pubchem
    The data in this table is sourced from UniChem at EBI.