Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H10ClN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h1,3-6,12H,7-8H2
SMILES C#CCNCc1ccc(cc1)Cl
InChI Key VRYFQVRFMNXTJS-UHFFFAOYSA-N
Molecular Formula C10H10ClN
Exact Mass 179.646 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VRYFQVRFMNXTJS-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/VRYFQVRFMNXTJS-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-[(4-chlorophenyl)methyl]prop-2-yn-1-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28682890 surechembl
    28419231 pubchem
    The data in this table is sourced from UniChem at EBI.