Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H12ClNO/c1-10-12(15)8-5-9-13(10)16-14(17)11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17)
SMILES O=C(c1ccccc1)Nc1cccc(c1C)Cl
InChI Key YYBZYCYXYZUIHL-UHFFFAOYSA-N
Molecular Formula C14H12ClNO
Exact Mass 245.704 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YYBZYCYXYZUIHL-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/YYBZYCYXYZUIHL-UHFFFAOYSA-N/IR.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-07-23
Related Molecule
  • N-(3-chloro-2-methylphenyl)benzamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    KHD4YVI1MG fdasrs
    98772 pubchem
    Molport-000-421-005 molport
    The data in this table is sourced from UniChem at EBI.