Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

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/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CXUSUDZIJBUHLB-UHFFFAOYSA-N/CHMO0000593
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 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : May07-2024

    date : 20240508

    starting time : 4.24

    label : CSR-250

    id : 305337

    Solvent : CD2Cl2

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    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.