Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H 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/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XOPCWKNVZNRPKL-UHFFFAOYSA-N/CHMO0000593
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 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    date : 2025-06-13

    starting time : 16:20:48 UTC

    creator : Aleksandra Vranic

    label : AVC-663

    id : 341519

    Solvent : CDCl3

    temperature : 298.0018 K

    PULPROG : zg30

    number of scans : 32 scans

    instrument : Avance NEO

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    15741804 PubChem
    FEFPOW CCDC
    J461.910B Nikkaji
    SCHEMBL9445826 SureChEMBL
    The data in this table is sourced from UniChem at EBI.