Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H14IN/c1-11-6-8-12(9-7-11)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3
SMILES Cc1ccc(cc1)CNc1ccccc1I
InChI Key PKGSVPTXNGODPM-UHFFFAOYSA-N
Molecular Formula C14H14IN
Exact Mass 323.172 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PKGSVPTXNGODPM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PKGSVPTXNGODPM-UHFFFAOYSA-N/CHMO0000593
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-01-20
Related Molecule
  • 2-iodo-N-[(4-methylphenyl)methyl]aniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28878568 pubchem
    The data in this table is sourced from UniChem at EBI.