Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H5F3INO/c9-8(10,11)7(14)13-6-4-2-1-3-5(6)12/h1-4H,(H,13,14)
SMILES O=C(C(F)(F)F)Nc1ccccc1I
InChI Key OMPMADRXWAHDGV-UHFFFAOYSA-N
Molecular Formula C8H5F3INO
Exact Mass 315.031 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OMPMADRXWAHDGV-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/OMPMADRXWAHDGV-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-07
Related Molecule
  • 2,2,2-trifluoro-N-(2-iodophenyl)acetamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-1607896262 Mcule
    J323.614E Nikkaji
    DIRDAL CCDC
    ZINC000001462675 ZINC
    DTXSID90364188 EPA CompTox Dashboard
    16135197 PubChem: Thomson Pharma
    SCHEMBL1542482 SureChEMBL
    20122813 NMRShiftDB
    1534613 PubChem
    The data in this table is sourced from UniChem at EBI.