Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

Molecular Image
InChI InChI=1S/C17H14F3NO2S/c1-9-6-12(22-2)15(13(7-9)23-3)16-21-11-8-10(17(18,19)20)4-5-14(11)24-16/h4-8H,1-3H3
SMILES COc1cc(C)cc(c1c1nc2c(s1)ccc(c2)C(F)(F)F)OC
InChI Key PMQHVQYSNNTEKV-UHFFFAOYSA-N
Exact Mass 353.359 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PMQHVQYSNNTEKV-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PMQHVQYSNNTEKV-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-06-19T11:07:05Z
Related Molecule
  • nfdi4chem-mol8163 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.