Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H9F4IO3/c1-18-8-4-3-6(16)5-7(8)10(12,9(17)19-2)11(13,14)15/h3-5H,1-2H3
SMILES COC(=O)C(C(F)(F)F)(c1cc(I)ccc1OC)F
InChI Key UKGXGZLPQXSNFJ-UHFFFAOYSA-N
Molecular Formula C11H9F4IO3
Exact Mass 392.085 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UKGXGZLPQXSNFJ-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/UKGXGZLPQXSNFJ-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427483 pubchem
    The data in this table is sourced from UniChem at EBI.