Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H10INO/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,(H,15,16)
SMILES O=C(c1ccccc1)Nc1ccccc1I
InChI Key JNLAWMGPPJLSMA-UHFFFAOYSA-N
Molecular Formula C13H10INO
Exact Mass 323.129 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JNLAWMGPPJLSMA-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/JNLAWMGPPJLSMA-UHFFFAOYSA-N/IR.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-05
Related Molecule
  • N-(2-iodophenyl)benzamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31393787 surechembl
    6288808 surechembl
    285529 pubchem
    KIZRIV CCDC
    Molport-003-250-209 molport
    The data in this table is sourced from UniChem at EBI.