Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12ClNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccc(cc1)Cl)C
InChI Key MWWJUXGMIOUFOP-UHFFFAOYSA-N
Molecular Formula C10H12ClNO
Exact Mass 197.661 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MWWJUXGMIOUFOP-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/MWWJUXGMIOUFOP-UHFFFAOYSA-N/IR.1
Version
Author Daniele Antermite
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-11
Related Molecule
  • 4-chloro-N-propan-2-ylbenzamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-4351639415 Mcule
    J149.075C Nikkaji
    SCHEMBL8185351 SureChEMBL
    5394850 eMolecules
    24045 PubChem
    7461-41-8 ACToR
    ZINC000001069331 ZINC
    DTXSID00225594 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.