Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
SMILES CC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C
InChI Key YSTSBXDVNKYPTR-UHFFFAOYSA-N
Molecular Formula C16H14O2
Exact Mass 238.281 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YSTSBXDVNKYPTR-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/YSTSBXDVNKYPTR-UHFFFAOYSA-N/CHMO0000470
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1-[4-(4-acetylphenyl)phenyl]ethanone
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    301558 PubChem
    MCULE-9820333901 Mcule
    CB1224519 ChemicalBook
    15464849 PubChem: Thomson Pharma
    787-69-9 ACToR
    SCHEMBL197130 SureChEMBL
    489750 eMolecules
    ZINC000000056557 ZINC
    J79.953J Nikkaji
    DTXSID80306719 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.