Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H28O3/c1-4-5-9-19(10-7-6-8-11-19)15-12-17(21-2)16(14-20)18(13-15)22-3/h12-14H,4-11H2,1-3H3
SMILES CCCCC1(CCCCC1)c1cc(OC)c(c(c1)OC)C=O
InChI Key MNWRWHFNJZESFP-UHFFFAOYSA-N
Molecular Formula C19H28O3
Exact Mass 304.424 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MNWRWHFNJZESFP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MNWRWHFNJZESFP-UHFFFAOYSA-N/CHMO0000593
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • 4-(1-butylcyclohexyl)-2,6-dimethoxybenzaldehyde
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Jun14-2024

    date : 20240614

    starting time : 16.26 h

    label : nst-18

    id : 310734

    Solvent : chloroform-D1 (CDCl3)

    temperature : 296.5 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    155773718 PubChem
    The data in this table is sourced from UniChem at EBI.