Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C18H26O2/c1-4-5-9-18(10-7-6-8-11-18)15-12-16(19-2)14-17(13-15)20-3/h5,9,12-14H,4,6-8,10-11H2,1-3H3/b9-5-
SMILES CC/C=C\C1(CCCCC1)c1cc(OC)cc(c1)OC
InChI Key QGEDXNVDEVACQH-UITAMQMPSA-N
Molecular Formula C18H26O2
Exact Mass 274.398 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QGEDXNVDEVACQH-UITAMQMPSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/QGEDXNVDEVACQH-UITAMQMPSA-N/CHMO0000595
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • 1-[1-[(Z)-but-1-enyl]cyclohexyl]-3,5-dimethoxybenzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : May24-2024

    Date : 20240524

    Start time : 21.56

    Label : CSR-263

    ID : 305830

    Solvent : CD2Cl2

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 2048

    Instrument : spect

    Data-Source Molecule ID Data-Source
    155464740 PubChem
    The data in this table is sourced from UniChem at EBI.