Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H7ClINO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
SMILES ClCC(=O)Nc1ccc(cc1)I
InChI Key WIUVQCIRRAAPAX-UHFFFAOYSA-N
Molecular Formula C8H7ClINO
Exact Mass 295.505 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WIUVQCIRRAAPAX-UHFFFAOYSA-N/IR.2
License URL
Source https://www.chemotion-repository.net/inchikey/WIUVQCIRRAAPAX-UHFFFAOYSA-N/IR.2
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-07-10
Related Molecule
  • 2-chloro-N-(4-iodophenyl)acetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1171687 ChEMBL
    J1.589.940I Nikkaji
    ZINC000000152932 ZINC
    DTXSID20352831 EPA CompTox Dashboard
    CB2773049 ChemicalBook
    99220395 PubChem: Thomson Pharma
    SCHEMBL2320435 SureChEMBL
    735792 PubChem
    857933 eMolecules
    MCULE-7532914467 Mcule
    The data in this table is sourced from UniChem at EBI.