Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H20Br2/c1-15(23)17-3-7-19(8-4-17)21-11-13-22(14-12-21)20-9-5-18(6-10-20)16(2)24/h3-16H,1-2H3
SMILES CC(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(Br)C)Br
InChI Key RYUCTBZLWZXIEY-UHFFFAOYSA-N
Molecular Formula C22H20Br2
Exact Mass 444.202 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RYUCTBZLWZXIEY-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/RYUCTBZLWZXIEY-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1,4-bis[4-(1-bromoethyl)phenyl]benzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154573677 pubchem
    The data in this table is sourced from UniChem at EBI.