Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3
SMILES CCCCCc1cc(O)cc(c1)O
InChI Key IRMPFYJSHJGOPE-UHFFFAOYSA-N
Exact Mass 180.244 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IRMPFYJSHJGOPE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/IRMPFYJSHJGOPE-UHFFFAOYSA-N/CHMO0000595
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-12
Related Molecule
  • 5-pentylbenzene-1,3-diol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:66960 chebi
    LMPK15030008 lipidmaps
    CHEMBL154533 chembl
    69517 surechembl
    10377 pubchem
    65OP0NEZ1P fdasrs
    PD065358 probes_and_drugs
    Molport-002-051-896 molport
    50555907 bindingdb
    The data in this table is sourced from UniChem at EBI.