Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
SMILES CCCCCCCCCCCC#N
InChI Key VXCUURYYWGCLIH-UHFFFAOYSA-N
Molecular Formula C12H23N
Exact Mass 181.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VXCUURYYWGCLIH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VXCUURYYWGCLIH-UHFFFAOYSA-N/CHMO0000593
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • dodecanenitrile
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:189391 chebi
    LMFA09000003 lipidmaps
    CHEMBL1879602 chembl
    181303 surechembl
    17092 pubchem
    TL45I6761P fdasrs
    Molport-001-785-586 molport
    The data in this table is sourced from UniChem at EBI.