Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H5F3OS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H
SMILES OC(C(F)(F)F)c1cccs1
InChI Key HFMKQZZXASNEDP-UHFFFAOYSA-N
Molecular Formula C6H5F3OS
Exact Mass 182.164 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HFMKQZZXASNEDP-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/HFMKQZZXASNEDP-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-thiophen-2-ylethanol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2422205 surechembl
    10954147 pubchem
    Molport-008-267-238 molport
    The data in this table is sourced from UniChem at EBI.