Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H23BrO3/c1-3-4-7-19(8-5-6-9-19)13-10-16(22-2)14-12-15(20)18(21)23-17(14)11-13/h10-12H,3-9H2,1-2H3
SMILES CCCCC1(CCCC1)c1cc(OC)c2c(c1)oc(=O)c(c2)Br
InChI Key HDYVCTYITRSDGK-UHFFFAOYSA-N
Molecular Formula C19H23BrO3
Exact Mass 379.288 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HDYVCTYITRSDGK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HDYVCTYITRSDGK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-bromo-7-(1-butylcyclopentyl)-5-methoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453505 pubchem
    The data in this table is sourced from UniChem at EBI.