Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3
SMILES CC(=O)c1ccc(cc1)c1ccccc1
InChI Key QCZZSANNLWPGEA-UHFFFAOYSA-N
Molecular Formula C14H12O
Exact Mass 196.244 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QCZZSANNLWPGEA-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/QCZZSANNLWPGEA-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1-(4-phenylphenyl)ethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1522504 chembl
    51207 surechembl
    7252924 surechembl
    7113 pubchem
    PX5XEZ9DQD fdasrs
    212872 brenda
    218278 brenda
    221658 brenda
    Molport-000-871-224 molport
    The data in this table is sourced from UniChem at EBI.