Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
SMILES Fc1ccccc1c1ccccc1
InChI Key KLECYOQFQXJYBC-UHFFFAOYSA-N
Molecular Formula C12H9F
Exact Mass 172.198 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KLECYOQFQXJYBC-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/KLECYOQFQXJYBC-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Bekir Bulat
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-fluoro-2-phenylbenzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL122521 chembl
    201614 surechembl
    67579 pubchem
    KC8Q87V4QY fdasrs
    YUYXIZ CCDC
    Molport-000-155-533 molport
    The data in this table is sourced from UniChem at EBI.