Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H12Br2O2/c21-15-9-17(23)19(13-7-3-1-5-11(13)15)20-14-8-4-2-6-12(14)16(22)10-18(20)24/h1-10,23-24H
SMILES Oc1cc(Br)c2c(c1c1c(O)cc(c3c1cccc3)Br)cccc2
InChI Key UAOMNDAJRKOYII-UHFFFAOYSA-N
Molecular Formula C20H12Br2O2
Exact Mass 444.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UAOMNDAJRKOYII-UHFFFAOYSA-N/CHMO0000630.1
License URL
Source https://www.chemotion-repository.net/inchikey/UAOMNDAJRKOYII-UHFFFAOYSA-N/CHMO0000630.1
Version
Author Tobias Sengpiel
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-23
Related Molecule
  • 4-bromo-1-(4-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15522048 PubChem
    SCHEMBL5357175 SureChEMBL
    ZAMFUS CCDC
    J786.259H Nikkaji
    The data in this table is sourced from UniChem at EBI.