Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)
SMILES OC(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)O
InChI Key HKNHBZNRYLZPMH-UHFFFAOYSA-N
Molecular Formula C26H18O4
Exact Mass 394.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HKNHBZNRYLZPMH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HKNHBZNRYLZPMH-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-05
Related Molecule
  • 4-[4-[4-(4-carboxyphenyl)phenyl]phenyl]benzoic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14018385 surechembl
    15646893 pubchem
    DTXSID00576270 comptox
    Molport-046-832-250 molport
    The data in this table is sourced from UniChem at EBI.