Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
SMILES OC(=O)c1ccccc1F
InChI Key NSTREUWFTAOOKS-UHFFFAOYSA-N
Molecular Formula C7H5FO2
Exact Mass 140.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NSTREUWFTAOOKS-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/NSTREUWFTAOOKS-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-fluorobenzoic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:19577 chebi
    3U4 rcsb_pdb
    CHEMBL114383 chembl
    29362443 surechembl
    97828 surechembl
    9935 pubchem
    64UZ32KOO4 fdasrs
    FBENZA CCDC
    104546 brenda
    106910 brenda
    32702 brenda
    Molport-000-145-907 molport
    The data in this table is sourced from UniChem at EBI.