Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H15BrO/c18-17-10-13-2-6-14-5-1-12(9-16(14)11-19)3-7-15(17)8-4-13/h1,4-5,8-11H,2-3,6-7H2
SMILES O=Cc1cc2ccc1CCc1ccc(CC2)c(c1)Br
InChI Key PDEKZHFJFSKVGD-UHFFFAOYSA-N
Molecular Formula C17H15BrO
Exact Mass 315.204 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PDEKZHFJFSKVGD-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/PDEKZHFJFSKVGD-UHFFFAOYSA-N/IR.1
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 11-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-carbaldehyde
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    102015230 pubchem
    The data in this table is sourced from UniChem at EBI.