Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H11ClO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)
SMILES O=C(c1ccc(cc1)Cl)CCCC(=O)O
InChI Key BVLILROMUFYKGH-UHFFFAOYSA-N
Molecular Formula C11H11ClO3
Exact Mass 226.656 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BVLILROMUFYKGH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/BVLILROMUFYKGH-UHFFFAOYSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 5-(4-chlorophenyl)-5-oxopentanoic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    716077 eMolecules
    MCULE-3832021948 Mcule
    16313518 PubChem: Thomson Pharma
    SCHEMBL2743322 SureChEMBL
    2733716 PubChem
    ZINC000002378611 ZINC
    J721.982B Nikkaji
    The data in this table is sourced from UniChem at EBI.