Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C30H27Br3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-21H,1-3H3
SMILES CC(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(Br)C)c1ccc(cc1)C(Br)C)Br
InChI Key DDJAVIQLRHCWQT-UHFFFAOYSA-N
Molecular Formula C30H27Br3
Exact Mass 627.247 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DDJAVIQLRHCWQT-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/DDJAVIQLRHCWQT-UHFFFAOYSA-N/CHMO0000630
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1,3,5-tris[4-(1-bromoethyl)phenyl]benzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154573666 pubchem
    The data in this table is sourced from UniChem at EBI.