Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/GWBGUJWRDDDVBI-UHFFFAOYSA-N/CHMO0001148
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 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID70205020 EPA CompTox Dashboard
    J296.676J Nikkaji
    ZINC000002585696 ZINC
    CB8233701 ChemicalBook
    1837918 eMolecules
    56469-10-4 ACToR
    16156348 PubChem: Thomson Pharma
    SCHEMBL69123 SureChEMBL
    MCULE-1071323108 Mcule
    91870 PubChem
    The data in this table is sourced from UniChem at EBI.