Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H26O3/c1-3-4-8-18(9-6-5-7-10-18)14-11-16(20)15(13-19)17(12-14)21-2/h11-13,20H,3-10H2,1-2H3
SMILES CCCCC1(CCCCC1)c1cc(O)c(c(c1)OC)C=O
InChI Key BQEBQCLTZBZZJG-UHFFFAOYSA-N
Molecular Formula C18H26O3
Exact Mass 290.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BQEBQCLTZBZZJG-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/BQEBQCLTZBZZJG-UHFFFAOYSA-N/CHMO0000470
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • 4-(1-butylcyclohexyl)-2-hydroxy-6-methoxybenzaldehyde
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155773717 PubChem
    The data in this table is sourced from UniChem at EBI.