Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C18H28O2/c1-4-5-9-18(10-7-6-8-11-18)15-12-16(19-2)14-17(13-15)20-3/h12-14H,4-11H2,1-3H3
SMILES CCCCC1(CCCCC1)c1cc(OC)cc(c1)OC
InChI Key SQPFKHOTQAOWIK-UHFFFAOYSA-N
Molecular Formula C18H28O2
Exact Mass 276.414 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SQPFKHOTQAOWIK-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/SQPFKHOTQAOWIK-UHFFFAOYSA-N/CHMO0001146
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • 1-(1-butylcyclohexyl)-3,5-dimethoxybenzene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : May28-2024

    date : 20240528

    starting time : 22.06

    label : CSR-271

    id : 307708

    Solvent : CD2Cl2

    temperature : 300.0 K

    PULPROG : hsqcph

    number of scans : 32 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    22867344 surechembl
    155464355 pubchem
    The data in this table is sourced from UniChem at EBI.