Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H9FO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12)
SMILES OC(=O)C(c1ccc(cc1)F)(O)C
InChI Key ZZCVUIWOTANGSM-UHFFFAOYSA-N
Molecular Formula C9H9FO3
Exact Mass 184.164 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZZCVUIWOTANGSM-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/ZZCVUIWOTANGSM-UHFFFAOYSA-N/CHMO0000597
Version
Author Elena Foitzik
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-08
Related Molecule
  • 2-(4-fluorophenyl)-2-hydroxypropanoic acid
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10419861 PubChem
    CB02105721 ChemicalBook
    DTXSID40439557 EPA CompTox Dashboard
    SCHEMBL2769055 SureChEMBL
    15438025 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.