Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
SMILES C#CCNCc1ccccc1
InChI Key LDYBFSGEBHSTOQ-UHFFFAOYSA-N
Molecular Formula C10H11N
Exact Mass 145.201 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDYBFSGEBHSTOQ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/LDYBFSGEBHSTOQ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-benzylprop-2-yn-1-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1322 chembl
    669952 surechembl
    99277 pubchem
    P8D34H25RW fdasrs
    40889 brenda
    HMDB0244443 hmdb
    Molport-000-942-859 molport
    The data in this table is sourced from UniChem at EBI.