Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C24H18/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-10,15-18H,1-2H3
SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C
InChI Key XOPCWKNVZNRPKL-UHFFFAOYSA-N
Exact Mass 306.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XOPCWKNVZNRPKL-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XOPCWKNVZNRPKL-UHFFFAOYSA-N/CHMO0000595
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
  • 1,4-bis[2-(4-methylphenyl)ethynyl]benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2025-06-13

    Start time : 20:00:16 UTC

    Creator : Aleksandra Vranic

    Label : AVC-663

    ID : 341519

    Solvent : CDCl3

    Temperature : 298.0008 K K

    Puls programme : zgpg30

    Number of scans : 2048

    Instrument : Avance NEO

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    9445826 surechembl
    15741804 pubchem
    FEFPOW CCDC
    The data in this table is sourced from UniChem at EBI.