Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H10ClNO/c1-7-3-2-4-8(5-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
SMILES ClCC(=O)Nc1cccc(c1)C
InChI Key GYMACIQGUHXSLT-UHFFFAOYSA-N
Molecular Formula C9H10ClNO
Exact Mass 183.635 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GYMACIQGUHXSLT-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GYMACIQGUHXSLT-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-chloro-N-(3-methylphenyl)acetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1998563 chembl
    30254346 surechembl
    4005968 surechembl
    296325 pubchem
    GISGOF CCDC
    Molport-000-871-732 molport
    The data in this table is sourced from UniChem at EBI.