Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H12ClNO/c15-10-14(17)16-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
SMILES ClCC(=O)Nc1ccccc1c1ccccc1
InChI Key BDDDKTKNLZLTQD-UHFFFAOYSA-N
Molecular Formula C14H12ClNO
Exact Mass 245.704 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BDDDKTKNLZLTQD-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/BDDDKTKNLZLTQD-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-chloro-N-(2-phenylphenyl)acetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2164313 chembl
    3172180 surechembl
    1129350 pubchem
    Molport-000-871-787 molport
    The data in this table is sourced from UniChem at EBI.