Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C21H18O4/c22-21(23)18-11-12-19(24-14-16-7-3-1-4-8-16)20(13-18)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,23)
SMILES OC(=O)c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1
InChI Key BYOKJLCIKSFPDU-UHFFFAOYSA-N
Molecular Formula C21H18O4
Exact Mass 334.365 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BYOKJLCIKSFPDU-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/BYOKJLCIKSFPDU-UHFFFAOYSA-N/CHMO0000498
Version
Author Michael Mertens
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • 3,4-bis(phenylmethoxy)benzoic acid
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12904258 eMolecules
    1570-05-4 ACToR
    SCHEMBL1600077 SureChEMBL
    15896662 PubChem: Thomson Pharma
    10854155 PubChem
    DTXSID40445890 EPA CompTox Dashboard
    ZINC000002386306 ZINC
    CB9234790 ChemicalBook
    J1.357.899K Nikkaji
    The data in this table is sourced from UniChem at EBI.