Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H24O2/c13-10-6-4-2-1-3-5-8-12-9-7-11-14-12/h12-13H,1-11H2
SMILES OCCCCCCCCC1CCCO1
InChI Key CUJRILCFZSDNPY-UHFFFAOYSA-N
Molecular Formula C12H24O2
Exact Mass 200.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CUJRILCFZSDNPY-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CUJRILCFZSDNPY-UHFFFAOYSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 8-(oxolan-2-yl)octan-1-ol
  • 8-(oxolan-2-yl)octan-1-ol
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    23119483 PubChem
    SCHEMBL4489413 SureChEMBL
    The data in this table is sourced from UniChem at EBI.