Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H12F2/c23-21-8-2-6-19(15-21)12-10-17-4-1-5-18(14-17)11-13-20-7-3-9-22(24)16-20/h1-9,14-16H
SMILES Fc1cccc(c1)C#Cc1cccc(c1)C#Cc1cccc(c1)F
InChI Key GCGLJLWQDSASOX-UHFFFAOYSA-N
Exact Mass 314.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GCGLJLWQDSASOX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GCGLJLWQDSASOX-UHFFFAOYSA-N/CHMO0000595
Version
Author Aleksandra Vranic
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
  • nfdi4chem-mol8735 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Jul05-2024

    Date : 20240706

    Start time : 8.58 h

    Label : SAW-38

    ID : 312374

    Solvent : DMSO

    Temperature : 297.6 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.