Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H10INO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
SMILES Ic1ccc(cc1)NC(=O)c1ccccc1
InChI Key CKKGAPLFCABOSW-UHFFFAOYSA-N
Molecular Formula C13H10INO
Exact Mass 323.129 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CKKGAPLFCABOSW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CKKGAPLFCABOSW-UHFFFAOYSA-N/IR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-06-19
Related Molecule
  • N-(4-iodophenyl)benzamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16924304 PubChem: Thomson Pharma
    910487 PubChem
    2049925 eMolecules
    SCHEMBL2564907 SureChEMBL
    ZINC000000493594 ZINC
    MCULE-8364602140 Mcule
    J2.884.118C Nikkaji
    The data in this table is sourced from UniChem at EBI.