Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)
SMILES OC(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)O
InChI Key FZTIWOBQQYPTCJ-UHFFFAOYSA-N
Molecular Formula C20H14O4
Exact Mass 318.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FZTIWOBQQYPTCJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FZTIWOBQQYPTCJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-05
Related Molecule
  • 4-[4-(4-carboxyphenyl)phenyl]benzoic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL2637326 SureChEMBL
    2745651 eMolecules
    DTXSID60391880 EPA CompTox Dashboard
    ZINC000003147211 ZINC
    J780.962J Nikkaji
    CB91454991 ChemicalBook
    MCULE-6824837365 Mcule
    3369891 PubChem
    The data in this table is sourced from UniChem at EBI.