Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1ccc(cc1)I
InChI Key SIULLDWIXYYVCU-UHFFFAOYSA-N
Molecular Formula C8H8INO
Exact Mass 261.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SIULLDWIXYYVCU-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SIULLDWIXYYVCU-UHFFFAOYSA-N/IR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-06-20
Related Molecule
  • N-(4-iodophenyl)acetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-2439343180 Mcule
    12147 PubChem
    J55.337I Nikkaji
    KOFDAM CCDC
    ZINC000000078961 ZINC
    DTXSID7060752 EPA CompTox Dashboard
    145748 Brenda
    126687 Brenda
    111296 Brenda
    CB8224523 ChemicalBook
    15716186 PubChem: Thomson Pharma
    SCHEMBL669782 SureChEMBL
    622-50-4 ACToR
    975386 eMolecules
    The data in this table is sourced from UniChem at EBI.