Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
SMILES N#CCCc1ccccc1
InChI Key ACRWYXSKEHUQDB-UHFFFAOYSA-N
Molecular Formula C9H9N
Exact Mass 131.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ACRWYXSKEHUQDB-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ACRWYXSKEHUQDB-UHFFFAOYSA-N/CHMO0000593
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • 3-phenylpropanenitrile
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:85426 chebi
    181108 surechembl
    12581 pubchem
    H2Y1JYN13Q fdasrs
    PIWBAC CCDC
    10516 brenda
    11913 brenda
    121828 brenda
    128572 brenda
    133692 brenda
    163997 brenda
    260177 brenda
    5779 brenda
    69562 brenda
    HMDB0034236 hmdb
    Molport-003-927-093 molport
    The data in this table is sourced from UniChem at EBI.