Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H9F3O3/c1-9(16,8(14)15)6-3-2-4-7(5-6)10(11,12)13/h2-5,16H,1H3,(H,14,15)
SMILES OC(=O)C(c1cccc(c1)C(F)(F)F)(O)C
InChI Key XFZJIHDLEUDRJM-UHFFFAOYSA-N
Molecular Formula C10H9F3O3
Exact Mass 234.172 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XFZJIHDLEUDRJM-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/XFZJIHDLEUDRJM-UHFFFAOYSA-N/CHMO0000597
Version
Author Elena Foitzik
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-08
Related Molecule
  • 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    36560599 eMolecules
    MCULE-7946017510 Mcule
    SCHEMBL14815251 SureChEMBL
    54594624 PubChem
    The data in this table is sourced from UniChem at EBI.