Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C15H20O3/c1-17-13-8-12(9-14(10-13)18-2)15(11-16)6-4-3-5-7-15/h8-11H,3-7H2,1-2H3
SMILES COc1cc(cc(c1)OC)C1(CCCCC1)C=O
InChI Key CXUSUDZIJBUHLB-UHFFFAOYSA-N
Molecular Formula C15H20O3
Exact Mass 248.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CXUSUDZIJBUHLB-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CXUSUDZIJBUHLB-UHFFFAOYSA-N/CHMO0000470
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • 1-(3,5-dimethoxyphenyl)cyclohexane-1-carbaldehyde
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J1.521.571B Nikkaji
    ZINC000584600288 ZINC
    101720711 PubChem
    The data in this table is sourced from UniChem at EBI.