Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/VNOMEAQPOMDWSR-UHFFFAOYSA-N/NMR/13C/CDCl3/100
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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL320271 chembl
    44838 surechembl
    95556 pubchem
    218130 brenda
    257633 brenda
    88282 brenda
    Molport-001-776-516 molport
    The data in this table is sourced from UniChem at EBI.