Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H24O2/c1-4-5-6-7-8-15(2,3)12-9-13(16)11-14(17)10-12/h9-11,16-17H,4-8H2,1-3H3
SMILES CCCCCCC(c1cc(O)cc(c1)O)(C)C
InChI Key GWBGUJWRDDDVBI-UHFFFAOYSA-N
Exact Mass 236.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GWBGUJWRDDDVBI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GWBGUJWRDDDVBI-UHFFFAOYSA-N/CHMO0000595
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-12
Related Molecule
  • 5-(2-methyloctan-2-yl)benzene-1,3-diol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    69123 surechembl
    91870 pubchem
    Molport-000-154-814 molport
    The data in this table is sourced from UniChem at EBI.