Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H17BrN2O/c19-12-6-7-13-21-16-11-5-4-10-15(16)20-17(18(21)22)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
SMILES BrCCCCn1c(=O)c(nc2c1cccc2)c1ccccc1
InChI Key ZNKZCVVAXNXYAK-UHFFFAOYSA-N
Molecular Formula C18H17BrN2O
Exact Mass 357.244 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZNKZCVVAXNXYAK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZNKZCVVAXNXYAK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-(4-bromobutyl)-3-phenylquinoxalin-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453764 PubChem
    The data in this table is sourced from UniChem at EBI.