Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H19IN2S2/c1-3-13(14-18-7-4-8-19-14)17-16-11-6-5-10(2)12(15)9-11/h5-6,9,14,16H,3-4,7-8H2,1-2H3/b17-13+
SMILES CC/C(=N\Nc1ccc(c(c1)I)C)/C1SCCCS1
InChI Key DJXWTAHPCVGVSX-GHRIWEEISA-N
Molecular Formula C14H19IN2S2
Exact Mass 406.349 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/DJXWTAHPCVGVSX-GHRIWEEISA-N/NMR/1H/CDCl3/300
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-[(E)-1-(1,3-dithian-2-yl)propylideneamino]-3-iodo-4-methylaniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427243 PubChem
    The data in this table is sourced from UniChem at EBI.