Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
SMILES c1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key PEQHIRFAKIASBK-UHFFFAOYSA-N
Molecular Formula C25H20
Exact Mass 320.426 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PEQHIRFAKIASBK-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PEQHIRFAKIASBK-UHFFFAOYSA-N/CHMO0000595
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-08-03
Related Molecule
  • tritylbenzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J53.692J Nikkaji
    TEPHME CCDC
    DTXSID30212215 EPA CompTox Dashboard
    CB3371369 ChemicalBook
    711736 eMolecules
    12424 PubChem
    630-76-2 ACToR
    16316289 PubChem: Thomson Pharma
    10016569 NMRShiftDB
    SCHEMBL230628 SureChEMBL
    MCULE-4909390516 Mcule
    ZINC000006843913 ZINC
    The data in this table is sourced from UniChem at EBI.