Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H11FIN/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,16H,9H2
SMILES Fc1ccc(cc1)CNc1ccccc1I
InChI Key RNGQLVKAGGXNHR-UHFFFAOYSA-N
Molecular Formula C13H11FIN
Exact Mass 327.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RNGQLVKAGGXNHR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RNGQLVKAGGXNHR-UHFFFAOYSA-N/CHMO0000595
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-03
Related Molecule
  • N-[(4-fluorophenyl)methyl]-2-iodoaniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28878561 PubChem
    ZINC000020360847 ZINC
    The data in this table is sourced from UniChem at EBI.