Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C13H26O/c1-3-5-6-7-9-13-11-10-12(14-13)8-4-2/h12-13H,3-11H2,1-2H3
SMILES CCCCCCC1CCC(O1)CCC
InChI Key POTWHSZPLBNTSD-UHFFFAOYSA-N
Molecular Formula C13H26O
Exact Mass 198.345 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/POTWHSZPLBNTSD-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/POTWHSZPLBNTSD-UHFFFAOYSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-hexyl-5-propyloxolane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.