Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H5F15INO/c15-8(16,7(32)31-6-4-2-1-3-5(6)30)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h1-4H,(H,31,32)
SMILES Ic1ccccc1NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key FOPXDFSIEYLVSD-UHFFFAOYSA-N
Molecular Formula C14H5F15INO
Exact Mass 615.076 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FOPXDFSIEYLVSD-UHFFFAOYSA-N/CHMO0000597.1
License URL
Source https://www.chemotion-repository.net/inchikey/FOPXDFSIEYLVSD-UHFFFAOYSA-N/CHMO0000597.1
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-iodophenyl)octanamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889685 PubChem
    The data in this table is sourced from UniChem at EBI.