Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H24O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h12H,2-11H2,1H3
SMILES CCCCCCCCC1CCCO1
InChI Key VDXKQHNJUOPHFV-UHFFFAOYSA-N
Molecular Formula C12H24O
Exact Mass 184.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VDXKQHNJUOPHFV-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/VDXKQHNJUOPHFV-UHFFFAOYSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-octyloxolane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    110735 PubChem
    5921-92-6 ACToR
    SCHEMBL4626384 SureChEMBL
    J223.885C Nikkaji
    DTXSID40884200 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.