Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VXCUURYYWGCLIH-UHFFFAOYSA-N/CHMO0000595
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • dodecanenitrile
    • Field Value
    Measurement Technique CHMO:0000595
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LMFA09000003 LipidMaps
    DTXSID1022188 EPA CompTox Dashboard
    ZINC000001577040 ZINC
    J42.966J Nikkaji
    CHEMBL1879602 ChEMBL
    17092 PubChem
    TL45I6761P FDA SRS
    2437-25-4 ACToR
    14843254 PubChem: Thomson Pharma
    595273 eMolecules
    189391 ChEBI
    CB0177216 ChemicalBook
    MCULE-4898299264 Mcule
    10008949 NMRShiftDB
    SCHEMBL181303 SureChEMBL
    The data in this table is sourced from UniChem at EBI.