Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MNWRWHFNJZESFP-UHFFFAOYSA-N/CHMO0000595
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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Jun14-2024

    Date : 20240615

    Start time : 9.27 h

    Label : nst-18

    ID : 310734

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 297.2 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

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