Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
SMILES OC(C(F)(F)F)c1ccccc1
InChI Key VNOMEAQPOMDWSR-UHFFFAOYSA-N
Molecular Formula C8H7F3O
Exact Mass 176.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VNOMEAQPOMDWSR-UHFFFAOYSA-N/NMR/19F/CDCl3/376
License URL
Source https://www.chemotion-repository.net/inchikey/VNOMEAQPOMDWSR-UHFFFAOYSA-N/NMR/19F/CDCl3/376
Version
Author Franziska Glaeser
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2,2,2-trifluoro-1-phenylethanol
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    95556 PubChem
    257633 Brenda
    340-06-7 ACToR
    14794063 PubChem: Thomson Pharma
    340-04-5 ACToR
    SCHEMBL44838 SureChEMBL
    10531-50-7 ACToR
    497359 eMolecules
    88282 Brenda
    MCULE-5377113658 Mcule
    CB3766347 ChemicalBook
    CB6766348 ChemicalBook
    218130 Brenda
    J227.686K Nikkaji
    CHEMBL320271 ChEMBL
    The data in this table is sourced from UniChem at EBI.