Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15-14/h14H,2-13H2,1H3
SMILES CCCCCCCCCCC1CCCO1
InChI Key SHMWDOJMJAWMOZ-UHFFFAOYSA-N
Molecular Formula C14H28O
Exact Mass 212.372 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SHMWDOJMJAWMOZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/SHMWDOJMJAWMOZ-UHFFFAOYSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-decyloxolane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL13423666 SureChEMBL
    53842185 PubChem
    The data in this table is sourced from UniChem at EBI.